added CMake files to build cluster/wham/src-M

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6bac0ac..aac881c 100644 (file)
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -159,6 +159,8 @@ if(UNRES_NA_MMCE)
       add_subdirectory(source/unres/src_CSA)
       add_subdirectory(source/xdrfpdb/src)
       add_subdirectory(source/xdrfpdb/src-M)
       add_subdirectory(source/unres/src_CSA)
       add_subdirectory(source/xdrfpdb/src)
       add_subdirectory(source/xdrfpdb/src-M)

+      add_subdirectory(source/cluster/wham/src)
+      add_subdirectory(source/cluster/wham/src-M)

     endif (Fortran_COMPILER_NAME STREQUAL "ifort")
   else()
     add_subdirectory(source/unres/src_MD)
     endif (Fortran_COMPILER_NAME STREQUAL "ifort")
   else()
     add_subdirectory(source/unres/src_MD)

@@ -166,6 +168,7 @@ if(UNRES_NA_MMCE)
     # add_subdirectory(source/unres/src_MD-M)
   endif()
   add_subdirectory(source/unres/src_MIN)
     # add_subdirectory(source/unres/src_MD-M)
   endif()
   add_subdirectory(source/unres/src_MIN)

+  add_subdirectory(source/cluster/unres/src)

 
 else()
 
 
 else()
 

@@ -177,8 +180,11 @@ else()
     add_subdirectory(source/xdrfpdb/src-M)
     add_subdirectory(source/wham/src)
     add_subdirectory(source/wham/src-M)
     add_subdirectory(source/xdrfpdb/src-M)
     add_subdirectory(source/wham/src)
     add_subdirectory(source/wham/src-M)

+    add_subdirectory(source/cluster/wham/src)
+    add_subdirectory(source/cluster/wham/src-M)

   endif(UNRES_WITH_MPI)
   add_subdirectory(source/unres/src_MIN)
   endif(UNRES_WITH_MPI)
   add_subdirectory(source/unres/src_MIN)

+  add_subdirectory(source/cluster/unres/src)

 
 endif(UNRES_NA_MMCE)
 
 
 endif(UNRES_NA_MMCE)
 

diff --git a/source/cluster/unres/src/CMakeLists.txt b/source/cluster/unres/src/CMakeLists.txt
new file mode 100644 (file)
index 0000000..fa3c5f5
--- /dev/null
+++ b/source/cluster/unres/src/CMakeLists.txt
@@ -0,0 +1,187 @@
+#
+# CMake project file for cluster analysis from UNRESMD  
+# 
+
+enable_language (Fortran)
+
+#================================
+# Set source file lists
+#================================
+set(UNRES_CLUSTER_UNRES_SRC0 
+       arcos.f
+       cartprint.f
+       chainbuild.f
+       contact.f
+       convert.f
+       fitsq.f
+       geomout.F
+       hc.f
+       initialize.f
+       intcor.f
+       main_clust.f
+       matmult.f
+       misc.f
+       noyes.f
+       pinorm.f
+       readpdb.f
+       readrtns.F
+       rescode.f
+       srtclust.f
+       timing.F
+       track.F
+       wrtclust.f
+)
+
+set(UNRES_CLUSTER_PP_SRC
+       geomout.F
+       readrtns.F
+       timing.F
+       track.F
+) 
+
+
+#================================================
+# Set comipiler flags for different sourcefiles  
+#================================================
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(FFLAGS0 "-ip -w -I." ) 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  set(FFLAGS0 "-I. " ) 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+set_property(SOURCE ${UNRES_CLUSTER_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+
+#=========================================
+# System specific flags
+#=========================================
+if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+  set(CPPFLAGS "${CPPFLAGS} LINUX") 
+endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+
+
+
+#=========================================
+# Apply preprocesor flags to *.F files
+#=========================================
+set_property(SOURCE ${UNRES_CLUSTER_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+
+
+#========================================
+#  Setting binary name
+#========================================
+set(UNRES_CLUSTER_BIN "unres_clustMD.exe")
+
+#=========================================
+# cinfo.f stupid workaround for cmake
+#  - shame on me ]:)
+#=========================================
+#set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
+#add_executable(compinfo-wham-m compinfo.c)
+#set_target_properties(compinfo-wham-m PROPERTIES OUTPUT_NAME compinfo)
+
+#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f 
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS 
+#      COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true     
+#      DEPENDS compinfo-wham-m )
+#set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+#=========================================
+# Set full unres CLUSTER sources
+#=========================================
+set(UNRES_CLUSTER_SRCS ${UNRES_CLUSTER_UNRES_SRC0} )
+
+#=========================================
+# Build the binary
+#=========================================
+add_executable(UNRES_CLUSTER_BIN ${UNRES_CLUSTER_SRCS} )
+set_target_properties(UNRES_CLUSTER_BIN PROPERTIES OUTPUT_NAME ${UNRES_CLUSTER_BIN})
+
+
+#=========================================
+# TESTS 
+#=========================================
+
+#-- Copy all the data files from the test directory into the source directory
+#SET(UNRES_TEST_FILES
+#      ala10.inp
+#    )
+
+#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+#      SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
+#      MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
+#      ADD_CUSTOM_COMMAND (
+#          TARGET     ${UNRES_BIN}
+#          POST_BUILD
+#          COMMAND    ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
+#      )
+#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+
+#=========================================
+# Generate data test files
+#=========================================
+#  test_single_ala.sh
+#=========================================
+
+#FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh
+#"#!/bin/sh
+#export POT=GB
+#export PREFIX=ala10
+#-----------------------------------------------------------------------------
+#UNRES_BIN=./${UNRES_BIN}
+#-----------------------------------------------------------------------------
+#DD=${CMAKE_SOURCE_DIR}/PARAM
+#export BONDPAR=$DD/bond.parm
+#export THETPAR=$DD/thetaml.5parm
+#export ROTPAR=$DD/scgauss.parm
+#export TORPAR=$DD/torsion_631Gdp.parm
+#export TORDPAR=$DD/torsion_double_631Gdp.parm
+#export ELEPAR=$DD/electr_631Gdp.parm
+#export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+#export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
+#export SCPPAR=$DD/scp.parm
+#export SCCORPAR=$DD/rotcorr_AM1.parm
+#export PATTERN=$DD/patterns.cart
+#-----------------------------------------------------------------------------
+#$UNRES_BIN
+#")
+
+#=========================================
+#  ala10.inp
+#=========================================
+
+#file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10.inp
+#"ala10 unblocked
+#SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
+#nstep=15000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0          &
+#reset_moment=1000 reset_vel=1000 MDPDB
+#WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+#WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+#WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+#WVDWPP=0.11371 WHPB=1.00000                                                    &
+#CUTOFF=7.00000 WCORR4=0.00000
+#12
+#XAAAAAAAAAAX 
+# 0
+# 0
+#   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000 
+#   90.0000   90.0000
+#  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+#  180.0000
+#  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000 
+#  110.0000  110.0000
+# -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+# -120.0000 -120.0000
+#")
+
+
+# Add tests
+
+#if(NOT UNRES_WITH_MPI)
+
+#  add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+
+#endif(NOT UNRES_WITH_MPI)

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
new file mode 100644 (file)
index 0000000..e2c129f
--- /dev/null
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -0,0 +1,237 @@
+#
+# CMake project file for cluster analysis from WHAM for oligomeric proteins  
+# 
+
+enable_language (Fortran)
+
+#================================
+# Set source file lists
+#================================
+set(UNRES_CLUSTER_WHAM_M_SRC0 
+       arcos.f
+       cartprint.f
+       chainbuild.f
+       contact.f
+       convert.f
+       energy_p_new.F
+       fitsq.f
+       geomout.F
+       gnmr1.f
+       hc.f
+       icant.f
+       initialize_p.F
+       intcor.f
+       int_from_cart1.f
+       main_clust.F
+       matmult.f
+       misc.f
+       noyes.f
+       parmread.F
+       permut.f
+       pinorm.f
+       probabl.F
+       read_coords.F
+       readpdb.f
+       readrtns.F
+       rescode.f
+       setup_var.f
+       srtclust.f
+       timing.F
+       track.F
+       wrtclust.f
+       work_partition.F
+)
+
+set(UNRES_CLUSTER_WHAM_M_PP_SRC
+       energy_p_new.F
+       initialize_p.F
+       geomout.F
+       main_clust.F
+       parmread.F
+       probabl.F
+       read_coords.F
+       readrtns.F
+       timing.F
+       track.F
+       work_partition.F
+       proc_proc.c
+) 
+
+
+#================================================
+# Set comipiler flags for different sourcefiles  
+#================================================
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  set(FFLAGS0 "-I. -I${CMAKE_CURRENT_SOURCE_DIR}/inlude_unres " ) 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+# Add MPI compiler flags
+if(UNRES_WITH_MPI)
+  set(FFLAGS0 "${FFLAGS0} -I${MPIF_INCLUDE_DIRECTORIES}")
+endif(UNRES_WITH_MPI)
+
+set_property(SOURCE ${UNRES_CLUSTER_WHAM_M_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+set(CPPFLAGS "PROCOR -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  # Add ifort preprocessor flags
+  set(CPPFLAGS "${CPPFLAGS} -DPGI") 
+elseif (Fortran_COMPILER_NAME STREQUAL "f95")
+  # Add new gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  # Add old gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+#=========================================
+# System specific flags
+#=========================================
+if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+  set(CPPFLAGS "${CPPFLAGS} -DLINUX") 
+endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+
+#=========================================
+# Add MPI preprocessor flags
+#=========================================
+if (UNRES_WITH_MPI)
+  set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
+endif(UNRES_WITH_MPI)
+
+
+#=========================================
+# Apply preprocesor flags to *.F files
+#=========================================
+set_property(SOURCE ${UNRES_CLUSTER_WHAM_M_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+
+
+#========================================
+#  Setting binary name
+#========================================
+set(UNRES_CLUSTER_WHAM_M_BIN "unres_clustMD.exe")
+
+#=========================================
+# cinfo.f stupid workaround for cmake
+#  - shame on me ]:)
+#=========================================
+#set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
+#add_executable(compinfo-wham-m compinfo.c)
+#set_target_properties(compinfo-wham-m PROPERTIES OUTPUT_NAME compinfo)
+
+#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f 
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS 
+#      COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true     
+#      DEPENDS compinfo-wham-m )
+#set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+#=========================================
+# Set full unres CLUSTER sources
+#=========================================
+set(UNRES_CLUSTER_WHAM_M_SRCS ${UNRES_CLUSTER_WHAM_M_SRC0} ${CMAKE_CURRENT_SOURCE_DIR}/proc_proc.c)
+
+#=========================================
+# Build the binary
+#=========================================
+add_executable(UNRES_CLUSTER_WHAM_M_BIN ${UNRES_CLUSTER_WHAM_M_SRCS} )
+set_target_properties(UNRES_CLUSTER_WHAM_M_BIN PROPERTIES OUTPUT_NAME ${UNRES_CLUSTER_WHAM_M_BIN})
+
+#=========================================
+# Link libraries
+#=========================================
+# link MPI library (libmpich.a)  
+if(UNRES_WITH_MPI)
+  target_link_libraries( UNRES_CLUSTER_WHAM_M_BIN ${MPIF_LIBRARIES} )
+endif(UNRES_WITH_MPI)
+# link libxdrf.a 
+target_link_libraries( UNRES_CLUSTER_WHAM_M_BIN xdrf )
+
+#=========================================
+# TESTS 
+#=========================================
+
+#-- Copy all the data files from the test directory into the source directory
+#SET(UNRES_TEST_FILES
+#      ala10.inp
+#    )
+
+#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+#      SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
+#      MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
+#      ADD_CUSTOM_COMMAND (
+#          TARGET     ${UNRES_BIN}
+#          POST_BUILD
+#          COMMAND    ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
+#      )
+#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+
+#=========================================
+# Generate data test files
+#=========================================
+#  test_single_ala.sh
+#=========================================
+
+#FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh
+#"#!/bin/sh
+#export POT=GB
+#export PREFIX=ala10
+#-----------------------------------------------------------------------------
+#UNRES_BIN=./${UNRES_BIN}
+#-----------------------------------------------------------------------------
+#DD=${CMAKE_SOURCE_DIR}/PARAM
+#export BONDPAR=$DD/bond.parm
+#export THETPAR=$DD/thetaml.5parm
+#export ROTPAR=$DD/scgauss.parm
+#export TORPAR=$DD/torsion_631Gdp.parm
+#export TORDPAR=$DD/torsion_double_631Gdp.parm
+#export ELEPAR=$DD/electr_631Gdp.parm
+#export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+#export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
+#export SCPPAR=$DD/scp.parm
+#export SCCORPAR=$DD/rotcorr_AM1.parm
+#export PATTERN=$DD/patterns.cart
+#-----------------------------------------------------------------------------
+#$UNRES_BIN
+#")
+
+#=========================================
+#  ala10.inp
+#=========================================
+
+#file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10.inp
+#"ala10 unblocked
+#SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
+#nstep=15000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0          &
+#reset_moment=1000 reset_vel=1000 MDPDB
+#WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+#WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+#WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+#WVDWPP=0.11371 WHPB=1.00000                                                    &
+#CUTOFF=7.00000 WCORR4=0.00000
+#12
+#XAAAAAAAAAAX 
+# 0
+# 0
+#   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000 
+#   90.0000   90.0000
+#  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+#  180.0000
+#  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000 
+#  110.0000  110.0000
+# -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+# -120.0000 -120.0000
+#")
+
+
+# Add tests
+
+#if(NOT UNRES_WITH_MPI)
+
+#  add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+
+#endif(NOT UNRES_WITH_MPI)

diff --git a/source/cluster/wham/src-M/diff b/source/cluster/wham/src-M/diff
deleted file mode 100644 (file)
index 5c7ed52..0000000
--- a/source/cluster/wham/src-M/diff
+++ /dev/null
@@ -1,952 +0,0 @@
-4c4
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5a6
-> #ifndef ISNAN
-6a8
-> #endif
-83a86,89
-> C
-> C 21/5/07 Calculate local sicdechain correlation energy
-> C
->       call eback_sc_corr(esccor)
-99,125d104
-< C     call multibody(ecorr)
-< C 
-< C Sum the energies
-< C
-< C scale large componenets  
-< c#ifdef SCALE
-< c      ecorr5_scal=1000.0
-< c      eel_loc_scal=100.0
-< c      eello_turn3_scal=100.0
-< c      eello_turn4_scal=100.0
-< c      eturn6_scal=1000.0
-< c      ecorr6_scal=1000.0
-< c#else
-< c      ecorr5_scal=1.0
-< c      eel_loc_scal=1.0
-< c      eello_turn3_scal=1.0
-< c      eello_turn4_scal=1.0
-< c      eturn6_scal=1.0
-< c      ecorr6_scal=1.0
-< c#endif
-< c
-< c      ecorr5=ecorr5/ecorr5_scal
-< c      eel_loc=eel_loc/eel_loc_scal
-< c      eello_turn3=eello_turn3/eello_turn3_scal
-< c      eello_turn4=eello_turn4/eello_turn4_scal
-< c      eturn6=eturn6/eturn6_scal
-< c      ecorr6=ecorr6/ecorr6_scal
-133c112
-<      & +wbond*estr
----
->      & +wbond*estr+wsccor*fact(1)*esccor
-141c120
-<      & +wbond*estr
----
->      & +wbond*estr+wsccor*fact(1)*esccor
-172c151,152
-<       energia(19)=edihcnstr
----
->       energia(19)=esccor
->       energia(20)=edihcnstr
-173a154,160
-> #ifdef ISNAN
-> #ifdef AIX
->       if (isnan(etot).ne.0) energia(0)=1.0d+99
-> #else
->       if (isnan(etot)) energia(0)=1.0d+99
-> #endif
-> #else
-180a168
-> #endif
-201c189,190
-<      &                wturn6*fact(5)*gcorr6_turn(j,i)
----
->      &                wturn6*fact(5)*gcorr6_turn(j,i)+
->      &                wsccor*fact(2)*gsccorc(j,i)
-204c193,194
-<      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)
----
->      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)+
->      &                  wsccor*fact(2)*gsccorx(j,i)
-218c208,209
-<      &                wturn6*fact(5)*gcorr6_turn(j,i)
----
->      &                wturn6*fact(5)*gcorr6_turn(j,i)+
->      &                wsccor*fact(2)*gsccorc(j,i)
-221c212,213
-<      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)
----
->      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)+
->      &                  wsccor*fact(1)*gsccorx(j,i)
-224,225d215
-< cd      print '(i3,9(1pe12.4))',i,(gvdwc(k,i),k=1,3),(gelc(k,i),k=1,3),
-< cd   &        (gradc(k,i),k=1,3)
-230d219
-< cd        write (iout,*) i,g_corr5_loc(i)
-237a227
->      &   +wsccor*fact(1)*gsccor_loc(i)
-240,244d229
-< cd    print*,evdw,wsc,evdw2,wscp,ees+evdw1,welec,ebe,wang,
-< cd   &  escloc,wscloc,etors,wtor,ehpb,wstrain,nss,ebr,etot
-< cd    call enerprint(energia(0),fact)
-< cd    call intout
-< cd    stop
-251c236
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-279c264,265
-<       edihcnstr=energia(19)
----
->       esccor=energia(19)
->       edihcnstr=energia(20)
-289c275
-<      &  edihcnstr,ebr*nss,etot
----
->      &  esccor,wsccor*fact(1),edihcnstr,ebr*nss,etot
-308a295
->      & 'ESCCOR=',1pE16.6,' WEIGHT=',1pD16.6,' (backbone-rotamer corr)'/
-318c305,306
-<      &  eello_turn6,wturn6*fact(5),edihcnstr,ebr*nss,etot
----
->      &  eello_turn6,wturn6*fact(5),esccor*fact(1),wsccor,
->      &  edihcnstr,ebr*nss,etot
-336a325
->      & 'ESCCOR=',1pE16.6,' WEIGHT=',1pD16.6,' (backbone-rotamer corr)'/
-351c340
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-360a350
->       include 'COMMON.ENEPS'
-368a359,363
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-398a394,395
->             eneps_temp(1,ij)=eneps_temp(1,ij)+e1/dabs(eps0ij)
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2/eps0ij
-512c509
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-519a517
->       include 'COMMON.ENEPS'
-526a525,529
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-553a557,559
->             eneps_temp(1,ij)=eneps_temp(1,ij)+(e1+a_augm)
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2/eps(itypi,itypj)
-601c607
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-609a616
->       include 'COMMON.ENEPS'
-616a624,628
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-688a701,703
->             eneps_temp(1,ij)=eneps_temp(1,ij)+e1*aux
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2*aux/eps(itypi,itypj)
-728c743
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-736a752
->       include 'COMMON.ENEPS'
-742a759,763
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-819a841,843
->             eneps_temp(1,ij)=eneps_temp(1,ij)+aux*e1
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+aux*e2/eps(itypi,itypj)
-859c883
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-867a892
->       include 'COMMON.ENEPS'
-873a899,903
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-952a983,987
->             eneps_temp(1,ij)=eneps_temp(1,ij)+aux*(e1+e_augm)
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+aux*e2/eps(itypi,itypj)
-> c            eneps_temp(ij)=eneps_temp(ij)
-> c     &         +(evdwij+e_augm)/eps(itypi,itypj)
-1035c1070
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1073c1108
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1232c1267
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1415c1450
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1500c1535
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1683c1718
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2432c2467
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2699c2734
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2810c2845
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2887c2922
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2968c3003
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2978a3014
->       double precision u(3),ud(3)
-2988,2989c3024,3027
-<       estr=AKP*estr
-< c      write (iout,*) "estr",estr
----
->       estr=0.5d0*AKP*estr
-> c
-> c 09/18/07 AL: multimodal bond potential based on AM1 CA-SC PMF's included
-> c
-2993,2999c3031,3070
-<           diff=vbld(i+nres)-vbldsc0(iti)
-< c          write (iout,*) i,iti,vbld(i+nres),vbldsc0(iti),diff,
-< c     &      AKSC(iti)*diff*diff
-<           estr=estr+AKSC(iti)*diff*diff
-<           do j=1,3
-<             gradbx(j,i)=AKSC(iti)*diff*dc(j,i+nres)/vbld(i+nres)
-<           enddo
----
->           nbi=nbondterm(iti)
->           if (nbi.eq.1) then
->             diff=vbld(i+nres)-vbldsc0(1,iti)
-> c            write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
-> c     &      AKSC(1,iti),AKSC(1,iti)*diff*diff
->             estr=estr+0.5d0*AKSC(1,iti)*diff*diff
->             do j=1,3
->               gradbx(j,i)=AKSC(1,iti)*diff*dc(j,i+nres)/vbld(i+nres)
->             enddo
->           else
->             do j=1,nbi
->               diff=vbld(i+nres)-vbldsc0(j,iti)
->               ud(j)=aksc(j,iti)*diff
->               u(j)=abond0(j,iti)+0.5d0*ud(j)*diff
->             enddo
->             uprod=u(1)
->             do j=2,nbi
->               uprod=uprod*u(j)
->             enddo
->             usum=0.0d0
->             usumsqder=0.0d0
->             do j=1,nbi
->               uprod1=1.0d0
->               uprod2=1.0d0
->               do k=1,nbi
->                 if (k.ne.j) then
->                   uprod1=uprod1*u(k)
->                   uprod2=uprod2*u(k)*u(k)
->                 endif
->               enddo
->               usum=usum+uprod1
->               usumsqder=usumsqder+ud(j)*uprod2
->             enddo
-> c            write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
-> c     &      AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
->             estr=estr+uprod/usum
->             do j=1,3
->              gradbx(j,i)=usumsqder/(usum*usum)*dc(j,i+nres)/vbld(i+nres)
->             enddo
->           endif
-3002,3003d3072
-< c      write (iout,*) "estr",estr
-<       estr=0.5d0*estr
-3005a3075
-> #ifdef CRYST_THETA
-3014c3084
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3244a3315,3509
-> #else
-> C--------------------------------------------------------------------------
->       subroutine ebend(etheta)
-> C
-> C Evaluate the virtual-bond-angle energy given the virtual-bond dihedral
-> C angles gamma and its derivatives in consecutive thetas and gammas.
-> C ab initio-derived potentials from 
-> c Kozlowska et al., J. Phys.: Condens. Matter 19 (2007) 285203
-> C
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.LOCAL'
->       include 'COMMON.GEO'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.VAR'
->       include 'COMMON.CHAIN'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.NAMES'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       double precision coskt(mmaxtheterm),sinkt(mmaxtheterm),
->      & cosph1(maxsingle),sinph1(maxsingle),cosph2(maxsingle),
->      & sinph2(maxsingle),cosph1ph2(maxdouble,maxdouble),
->      & sinph1ph2(maxdouble,maxdouble)
->       logical lprn /.false./, lprn1 /.false./
->       etheta=0.0D0
-> c      write (iout,*) "ithetyp",(ithetyp(i),i=1,ntyp1)
->       do i=ithet_start,ithet_end
->         dethetai=0.0d0
->         dephii=0.0d0
->         dephii1=0.0d0
->         theti2=0.5d0*theta(i)
->         ityp2=ithetyp(itype(i-1))
->         do k=1,nntheterm
->           coskt(k)=dcos(k*theti2)
->           sinkt(k)=dsin(k*theti2)
->         enddo
->         if (i.gt.3) then
-> #ifdef OSF
->           phii=phi(i)
->           if (phii.ne.phii) phii=150.0
-> #else
->           phii=phi(i)
-> #endif
->           ityp1=ithetyp(itype(i-2))
->           do k=1,nsingle
->             cosph1(k)=dcos(k*phii)
->             sinph1(k)=dsin(k*phii)
->           enddo
->         else
->           phii=0.0d0
->           ityp1=nthetyp+1
->           do k=1,nsingle
->             cosph1(k)=0.0d0
->             sinph1(k)=0.0d0
->           enddo 
->         endif
->         if (i.lt.nres) then
-> #ifdef OSF
->           phii1=phi(i+1)
->           if (phii1.ne.phii1) phii1=150.0
->           phii1=pinorm(phii1)
-> #else
->           phii1=phi(i+1)
-> #endif
->           ityp3=ithetyp(itype(i))
->           do k=1,nsingle
->             cosph2(k)=dcos(k*phii1)
->             sinph2(k)=dsin(k*phii1)
->           enddo
->         else
->           phii1=0.0d0
->           ityp3=nthetyp+1
->           do k=1,nsingle
->             cosph2(k)=0.0d0
->             sinph2(k)=0.0d0
->           enddo
->         endif  
-> c        write (iout,*) "i",i," ityp1",itype(i-2),ityp1,
-> c     &   " ityp2",itype(i-1),ityp2," ityp3",itype(i),ityp3
-> c        call flush(iout)
->         ethetai=aa0thet(ityp1,ityp2,ityp3)
->         do k=1,ndouble
->           do l=1,k-1
->             ccl=cosph1(l)*cosph2(k-l)
->             ssl=sinph1(l)*sinph2(k-l)
->             scl=sinph1(l)*cosph2(k-l)
->             csl=cosph1(l)*sinph2(k-l)
->             cosph1ph2(l,k)=ccl-ssl
->             cosph1ph2(k,l)=ccl+ssl
->             sinph1ph2(l,k)=scl+csl
->             sinph1ph2(k,l)=scl-csl
->           enddo
->         enddo
->         if (lprn) then
->         write (iout,*) "i",i," ityp1",ityp1," ityp2",ityp2,
->      &    " ityp3",ityp3," theti2",theti2," phii",phii," phii1",phii1
->         write (iout,*) "coskt and sinkt"
->         do k=1,nntheterm
->           write (iout,*) k,coskt(k),sinkt(k)
->         enddo
->         endif
->         do k=1,ntheterm
->           ethetai=ethetai+aathet(k,ityp1,ityp2,ityp3)*sinkt(k)
->           dethetai=dethetai+0.5d0*k*aathet(k,ityp1,ityp2,ityp3)
->      &      *coskt(k)
->           if (lprn)
->      &    write (iout,*) "k",k," aathet",aathet(k,ityp1,ityp2,ityp3),
->      &     " ethetai",ethetai
->         enddo
->         if (lprn) then
->         write (iout,*) "cosph and sinph"
->         do k=1,nsingle
->           write (iout,*) k,cosph1(k),sinph1(k),cosph2(k),sinph2(k)
->         enddo
->         write (iout,*) "cosph1ph2 and sinph2ph2"
->         do k=2,ndouble
->           do l=1,k-1
->             write (iout,*) l,k,cosph1ph2(l,k),cosph1ph2(k,l),
->      &         sinph1ph2(l,k),sinph1ph2(k,l) 
->           enddo
->         enddo
->         write(iout,*) "ethetai",ethetai
->         endif
->         do m=1,ntheterm2
->           do k=1,nsingle
->             aux=bbthet(k,m,ityp1,ityp2,ityp3)*cosph1(k)
->      &         +ccthet(k,m,ityp1,ityp2,ityp3)*sinph1(k)
->      &         +ddthet(k,m,ityp1,ityp2,ityp3)*cosph2(k)
->      &         +eethet(k,m,ityp1,ityp2,ityp3)*sinph2(k)
->             ethetai=ethetai+sinkt(m)*aux
->             dethetai=dethetai+0.5d0*m*aux*coskt(m)
->             dephii=dephii+k*sinkt(m)*(
->      &          ccthet(k,m,ityp1,ityp2,ityp3)*cosph1(k)-
->      &          bbthet(k,m,ityp1,ityp2,ityp3)*sinph1(k))
->             dephii1=dephii1+k*sinkt(m)*(
->      &          eethet(k,m,ityp1,ityp2,ityp3)*cosph2(k)-
->      &          ddthet(k,m,ityp1,ityp2,ityp3)*sinph2(k))
->             if (lprn)
->      &      write (iout,*) "m",m," k",k," bbthet",
->      &         bbthet(k,m,ityp1,ityp2,ityp3)," ccthet",
->      &         ccthet(k,m,ityp1,ityp2,ityp3)," ddthet",
->      &         ddthet(k,m,ityp1,ityp2,ityp3)," eethet",
->      &         eethet(k,m,ityp1,ityp2,ityp3)," ethetai",ethetai
->           enddo
->         enddo
->         if (lprn)
->      &  write(iout,*) "ethetai",ethetai
->         do m=1,ntheterm3
->           do k=2,ndouble
->             do l=1,k-1
->               aux=ffthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)+
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)+
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)
->               ethetai=ethetai+sinkt(m)*aux
->               dethetai=dethetai+0.5d0*m*coskt(m)*aux
->               dephii=dephii+l*sinkt(m)*(
->      &           -ffthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)-
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)+
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l))
->               dephii1=dephii1+(k-l)*sinkt(m)*(
->      &           -ffthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)+
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)-
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l))
->               if (lprn) then
->               write (iout,*) "m",m," k",k," l",l," ffthet",
->      &            ffthet(l,k,m,ityp1,ityp2,ityp3),
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)," ggthet",
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3),
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)," ethetai",ethetai
->               write (iout,*) cosph1ph2(l,k)*sinkt(m),
->      &            cosph1ph2(k,l)*sinkt(m),
->      &            sinph1ph2(l,k)*sinkt(m),sinph1ph2(k,l)*sinkt(m)
->               endif
->             enddo
->           enddo
->         enddo
-> 10      continue
->         if (lprn1) write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') 
->      &   i,theta(i)*rad2deg,phii*rad2deg,
->      &   phii1*rad2deg,ethetai
->         etheta=etheta+ethetai
->         if (i.gt.3) gloc(i-3,icg)=gloc(i-3,icg)+wang*dephii
->         if (i.lt.nres) gloc(i-2,icg)=gloc(i-2,icg)+wang*dephii1
->         gloc(nphi+i-2,icg)=wang*dethetai
->       enddo
->       return
->       end
-> #endif
-> #ifdef CRYST_SC
-3252c3517
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3525a3791,4113
-> #else
-> c----------------------------------------------------------------------------------
->       subroutine esc(escloc)
-> C Calculate the local energy of a side chain and its derivatives in the
-> C corresponding virtual-bond valence angles THETA and the spherical angles 
-> C ALPHA and OMEGA derived from AM1 all-atom calculations.
-> C added by Urszula Kozlowska. 07/11/2007
-> C
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.GEO'
->       include 'COMMON.LOCAL'
->       include 'COMMON.VAR'
->       include 'COMMON.SCROT'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.CHAIN'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.NAMES'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       include 'COMMON.VECTORS'
->       double precision x_prime(3),y_prime(3),z_prime(3)
->      &    , sumene,dsc_i,dp2_i,x(65),
->      &     xx,yy,zz,sumene1,sumene2,sumene3,sumene4,s1,s1_6,s2,s2_6,
->      &    de_dxx,de_dyy,de_dzz,de_dt
->       double precision s1_t,s1_6_t,s2_t,s2_6_t
->       double precision 
->      & dXX_Ci1(3),dYY_Ci1(3),dZZ_Ci1(3),dXX_Ci(3),
->      & dYY_Ci(3),dZZ_Ci(3),dXX_XYZ(3),dYY_XYZ(3),dZZ_XYZ(3),
->      & dt_dCi(3),dt_dCi1(3)
->       common /sccalc/ time11,time12,time112,theti,it,nlobit
->       delta=0.02d0*pi
->       escloc=0.0D0
->       do i=loc_start,loc_end
->         costtab(i+1) =dcos(theta(i+1))
->         sinttab(i+1) =dsqrt(1-costtab(i+1)*costtab(i+1))
->         cost2tab(i+1)=dsqrt(0.5d0*(1.0d0+costtab(i+1)))
->         sint2tab(i+1)=dsqrt(0.5d0*(1.0d0-costtab(i+1)))
->         cosfac2=0.5d0/(1.0d0+costtab(i+1))
->         cosfac=dsqrt(cosfac2)
->         sinfac2=0.5d0/(1.0d0-costtab(i+1))
->         sinfac=dsqrt(sinfac2)
->         it=itype(i)
->         if (it.eq.10) goto 1
-> c
-> C  Compute the axes of tghe local cartesian coordinates system; store in
-> c   x_prime, y_prime and z_prime 
-> c
->         do j=1,3
->           x_prime(j) = 0.00
->           y_prime(j) = 0.00
->           z_prime(j) = 0.00
->         enddo
-> C        write(2,*) "dc_norm", dc_norm(1,i+nres),dc_norm(2,i+nres),
-> C     &   dc_norm(3,i+nres)
->         do j = 1,3
->           x_prime(j) = (dc_norm(j,i) - dc_norm(j,i-1))*cosfac
->           y_prime(j) = (dc_norm(j,i) + dc_norm(j,i-1))*sinfac
->         enddo
->         do j = 1,3
->           z_prime(j) = -uz(j,i-1)
->         enddo     
-> c       write (2,*) "i",i
-> c       write (2,*) "x_prime",(x_prime(j),j=1,3)
-> c       write (2,*) "y_prime",(y_prime(j),j=1,3)
-> c       write (2,*) "z_prime",(z_prime(j),j=1,3)
-> c       write (2,*) "xx",scalar(x_prime(1),x_prime(1)),
-> c      & " xy",scalar(x_prime(1),y_prime(1)),
-> c      & " xz",scalar(x_prime(1),z_prime(1)),
-> c      & " yy",scalar(y_prime(1),y_prime(1)),
-> c      & " yz",scalar(y_prime(1),z_prime(1)),
-> c      & " zz",scalar(z_prime(1),z_prime(1))
-> c
-> C Transform the unit vector of the ith side-chain centroid, dC_norm(*,i),
-> C to local coordinate system. Store in xx, yy, zz.
-> c
->         xx=0.0d0
->         yy=0.0d0
->         zz=0.0d0
->         do j = 1,3
->           xx = xx + x_prime(j)*dc_norm(j,i+nres)
->           yy = yy + y_prime(j)*dc_norm(j,i+nres)
->           zz = zz + z_prime(j)*dc_norm(j,i+nres)
->         enddo
-> 
->         xxtab(i)=xx
->         yytab(i)=yy
->         zztab(i)=zz
-> C
-> C Compute the energy of the ith side cbain
-> C
-> c        write (2,*) "xx",xx," yy",yy," zz",zz
->         it=itype(i)
->         do j = 1,65
->           x(j) = sc_parmin(j,it) 
->         enddo
-> #ifdef CHECK_COORD
-> Cc diagnostics - remove later
->         xx1 = dcos(alph(2))
->         yy1 = dsin(alph(2))*dcos(omeg(2))
->         zz1 = -dsin(alph(2))*dsin(omeg(2))
->         write(2,'(3f8.1,3f9.3,1x,3f9.3)') 
->      &    alph(2)*rad2deg,omeg(2)*rad2deg,theta(3)*rad2deg,xx,yy,zz,
->      &    xx1,yy1,zz1
-> C,"  --- ", xx_w,yy_w,zz_w
-> c end diagnostics
-> #endif
->         sumene1= x(1)+  x(2)*xx+  x(3)*yy+  x(4)*zz+  x(5)*xx**2
->      &   + x(6)*yy**2+  x(7)*zz**2+  x(8)*xx*zz+  x(9)*xx*yy
->      &   + x(10)*yy*zz
->         sumene2=  x(11) + x(12)*xx + x(13)*yy + x(14)*zz + x(15)*xx**2
->      & + x(16)*yy**2 + x(17)*zz**2 + x(18)*xx*zz + x(19)*xx*yy
->      & + x(20)*yy*zz
->         sumene3=  x(21) +x(22)*xx +x(23)*yy +x(24)*zz +x(25)*xx**2
->      &  +x(26)*yy**2 +x(27)*zz**2 +x(28)*xx*zz +x(29)*xx*yy
->      &  +x(30)*yy*zz +x(31)*xx**3 +x(32)*yy**3 +x(33)*zz**3
->      &  +x(34)*(xx**2)*yy +x(35)*(xx**2)*zz +x(36)*(yy**2)*xx
->      &  +x(37)*(yy**2)*zz +x(38)*(zz**2)*xx +x(39)*(zz**2)*yy
->      &  +x(40)*xx*yy*zz
->         sumene4= x(41) +x(42)*xx +x(43)*yy +x(44)*zz +x(45)*xx**2
->      &  +x(46)*yy**2 +x(47)*zz**2 +x(48)*xx*zz +x(49)*xx*yy
->      &  +x(50)*yy*zz +x(51)*xx**3 +x(52)*yy**3 +x(53)*zz**3
->      &  +x(54)*(xx**2)*yy +x(55)*(xx**2)*zz +x(56)*(yy**2)*xx
->      &  +x(57)*(yy**2)*zz +x(58)*(zz**2)*xx +x(59)*(zz**2)*yy
->      &  +x(60)*xx*yy*zz
->         dsc_i   = 0.743d0+x(61)
->         dp2_i   = 1.9d0+x(62)
->         dscp1=dsqrt(dsc_i**2+dp2_i**2-2*dsc_i*dp2_i
->      &          *(xx*cost2tab(i+1)+yy*sint2tab(i+1)))
->         dscp2=dsqrt(dsc_i**2+dp2_i**2-2*dsc_i*dp2_i
->      &          *(xx*cost2tab(i+1)-yy*sint2tab(i+1)))
->         s1=(1+x(63))/(0.1d0 + dscp1)
->         s1_6=(1+x(64))/(0.1d0 + dscp1**6)
->         s2=(1+x(65))/(0.1d0 + dscp2)
->         s2_6=(1+x(65))/(0.1d0 + dscp2**6)
->         sumene = ( sumene3*sint2tab(i+1) + sumene1)*(s1+s1_6)
->      & + (sumene4*cost2tab(i+1) +sumene2)*(s2+s2_6)
-> c        write(2,'(i2," sumene",7f9.3)') i,sumene1,sumene2,sumene3,
-> c     &   sumene4,
-> c     &   dscp1,dscp2,sumene
-> c        sumene = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         escloc = escloc + sumene
-> c        write (2,*) "escloc",escloc
->         if (.not. calc_grad) goto 1
-> #ifdef DEBUG
-> C
-> C This section to check the numerical derivatives of the energy of ith side
-> C chain in xx, yy, zz, and theta. Use the -DDEBUG compiler option or insert
-> C #define DEBUG in the code to turn it on.
-> C
->         write (2,*) "sumene               =",sumene
->         aincr=1.0d-7
->         xxsave=xx
->         xx=xx+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dxx_num=(sumenep-sumene)/aincr
->         xx=xxsave
->         write (2,*) "xx+ sumene from enesc=",sumenep
->         yysave=yy
->         yy=yy+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dyy_num=(sumenep-sumene)/aincr
->         yy=yysave
->         write (2,*) "yy+ sumene from enesc=",sumenep
->         zzsave=zz
->         zz=zz+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dzz_num=(sumenep-sumene)/aincr
->         zz=zzsave
->         write (2,*) "zz+ sumene from enesc=",sumenep
->         costsave=cost2tab(i+1)
->         sintsave=sint2tab(i+1)
->         cost2tab(i+1)=dcos(0.5d0*(theta(i+1)+aincr))
->         sint2tab(i+1)=dsin(0.5d0*(theta(i+1)+aincr))
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dt_num=(sumenep-sumene)/aincr
->         write (2,*) " t+ sumene from enesc=",sumenep
->         cost2tab(i+1)=costsave
->         sint2tab(i+1)=sintsave
-> C End of diagnostics section.
-> #endif
-> C        
-> C Compute the gradient of esc
-> C
->         pom_s1=(1.0d0+x(63))/(0.1d0 + dscp1)**2
->         pom_s16=6*(1.0d0+x(64))/(0.1d0 + dscp1**6)**2
->         pom_s2=(1.0d0+x(65))/(0.1d0 + dscp2)**2
->         pom_s26=6*(1.0d0+x(65))/(0.1d0 + dscp2**6)**2
->         pom_dx=dsc_i*dp2_i*cost2tab(i+1)
->         pom_dy=dsc_i*dp2_i*sint2tab(i+1)
->         pom_dt1=-0.5d0*dsc_i*dp2_i*(xx*sint2tab(i+1)-yy*cost2tab(i+1))
->         pom_dt2=-0.5d0*dsc_i*dp2_i*(xx*sint2tab(i+1)+yy*cost2tab(i+1))
->         pom1=(sumene3*sint2tab(i+1)+sumene1)
->      &     *(pom_s1/dscp1+pom_s16*dscp1**4)
->         pom2=(sumene4*cost2tab(i+1)+sumene2)
->      &     *(pom_s2/dscp2+pom_s26*dscp2**4)
->         sumene1x=x(2)+2*x(5)*xx+x(8)*zz+ x(9)*yy
->         sumene3x=x(22)+2*x(25)*xx+x(28)*zz+x(29)*yy+3*x(31)*xx**2
->      &  +2*x(34)*xx*yy +2*x(35)*xx*zz +x(36)*(yy**2) +x(38)*(zz**2)
->      &  +x(40)*yy*zz
->         sumene2x=x(12)+2*x(15)*xx+x(18)*zz+ x(19)*yy
->         sumene4x=x(42)+2*x(45)*xx +x(48)*zz +x(49)*yy +3*x(51)*xx**2
->      &  +2*x(54)*xx*yy+2*x(55)*xx*zz+x(56)*(yy**2)+x(58)*(zz**2)
->      &  +x(60)*yy*zz
->         de_dxx =(sumene1x+sumene3x*sint2tab(i+1))*(s1+s1_6)
->      &        +(sumene2x+sumene4x*cost2tab(i+1))*(s2+s2_6)
->      &        +(pom1+pom2)*pom_dx
-> #ifdef DEBUG
->         write(2,*), "de_dxx = ", de_dxx,de_dxx_num
-> #endif
-> C
->         sumene1y=x(3) + 2*x(6)*yy + x(9)*xx + x(10)*zz
->         sumene3y=x(23) +2*x(26)*yy +x(29)*xx +x(30)*zz +3*x(32)*yy**2
->      &  +x(34)*(xx**2) +2*x(36)*yy*xx +2*x(37)*yy*zz +x(39)*(zz**2)
->      &  +x(40)*xx*zz
->         sumene2y=x(13) + 2*x(16)*yy + x(19)*xx + x(20)*zz
->         sumene4y=x(43)+2*x(46)*yy+x(49)*xx +x(50)*zz
->      &  +3*x(52)*yy**2+x(54)*xx**2+2*x(56)*yy*xx +2*x(57)*yy*zz
->      &  +x(59)*zz**2 +x(60)*xx*zz
->         de_dyy =(sumene1y+sumene3y*sint2tab(i+1))*(s1+s1_6)
->      &        +(sumene2y+sumene4y*cost2tab(i+1))*(s2+s2_6)
->      &        +(pom1-pom2)*pom_dy
-> #ifdef DEBUG
->         write(2,*), "de_dyy = ", de_dyy,de_dyy_num
-> #endif
-> C
->         de_dzz =(x(24) +2*x(27)*zz +x(28)*xx +x(30)*yy
->      &  +3*x(33)*zz**2 +x(35)*xx**2 +x(37)*yy**2 +2*x(38)*zz*xx 
->      &  +2*x(39)*zz*yy +x(40)*xx*yy)*sint2tab(i+1)*(s1+s1_6) 
->      &  +(x(4) + 2*x(7)*zz+  x(8)*xx + x(10)*yy)*(s1+s1_6) 
->      &  +(x(44)+2*x(47)*zz +x(48)*xx   +x(50)*yy  +3*x(53)*zz**2   
->      &  +x(55)*xx**2 +x(57)*(yy**2)+2*x(58)*zz*xx +2*x(59)*zz*yy  
->      &  +x(60)*xx*yy)*cost2tab(i+1)*(s2+s2_6)
->      &  + ( x(14) + 2*x(17)*zz+  x(18)*xx + x(20)*yy)*(s2+s2_6)
-> #ifdef DEBUG
->         write(2,*), "de_dzz = ", de_dzz,de_dzz_num
-> #endif
-> C
->         de_dt =  0.5d0*sumene3*cost2tab(i+1)*(s1+s1_6) 
->      &  -0.5d0*sumene4*sint2tab(i+1)*(s2+s2_6)
->      &  +pom1*pom_dt1+pom2*pom_dt2
-> #ifdef DEBUG
->         write(2,*), "de_dt = ", de_dt,de_dt_num
-> #endif
-> c 
-> C
->        cossc=scalar(dc_norm(1,i),dc_norm(1,i+nres))
->        cossc1=scalar(dc_norm(1,i-1),dc_norm(1,i+nres))
->        cosfac2xx=cosfac2*xx
->        sinfac2yy=sinfac2*yy
->        do k = 1,3
->          dt_dCi(k) = -(dc_norm(k,i-1)+costtab(i+1)*dc_norm(k,i))*
->      &      vbld_inv(i+1)
->          dt_dCi1(k)= -(dc_norm(k,i)+costtab(i+1)*dc_norm(k,i-1))*
->      &      vbld_inv(i)
->          pom=(dC_norm(k,i+nres)-cossc*dC_norm(k,i))*vbld_inv(i+1)
->          pom1=(dC_norm(k,i+nres)-cossc1*dC_norm(k,i-1))*vbld_inv(i)
-> c         write (iout,*) "i",i," k",k," pom",pom," pom1",pom1,
-> c     &    " dt_dCi",dt_dCi(k)," dt_dCi1",dt_dCi1(k)
-> c         write (iout,*) "dC_norm",(dC_norm(j,i),j=1,3),
-> c     &   (dC_norm(j,i-1),j=1,3)," vbld_inv",vbld_inv(i+1),vbld_inv(i)
->          dXX_Ci(k)=pom*cosfac-dt_dCi(k)*cosfac2xx
->          dXX_Ci1(k)=-pom1*cosfac-dt_dCi1(k)*cosfac2xx
->          dYY_Ci(k)=pom*sinfac+dt_dCi(k)*sinfac2yy
->          dYY_Ci1(k)=pom1*sinfac+dt_dCi1(k)*sinfac2yy
->          dZZ_Ci1(k)=0.0d0
->          dZZ_Ci(k)=0.0d0
->          do j=1,3
->            dZZ_Ci(k)=dZZ_Ci(k)-uzgrad(j,k,2,i-1)*dC_norm(j,i+nres)
->            dZZ_Ci1(k)=dZZ_Ci1(k)-uzgrad(j,k,1,i-1)*dC_norm(j,i+nres)
->          enddo
->           
->          dXX_XYZ(k)=vbld_inv(i+nres)*(x_prime(k)-xx*dC_norm(k,i+nres))
->          dYY_XYZ(k)=vbld_inv(i+nres)*(y_prime(k)-yy*dC_norm(k,i+nres))
->          dZZ_XYZ(k)=vbld_inv(i+nres)*(z_prime(k)-zz*dC_norm(k,i+nres))
-> c
->          dt_dCi(k) = -dt_dCi(k)/sinttab(i+1)
->          dt_dCi1(k)= -dt_dCi1(k)/sinttab(i+1)
->        enddo
-> 
->        do k=1,3
->          dXX_Ctab(k,i)=dXX_Ci(k)
->          dXX_C1tab(k,i)=dXX_Ci1(k)
->          dYY_Ctab(k,i)=dYY_Ci(k)
->          dYY_C1tab(k,i)=dYY_Ci1(k)
->          dZZ_Ctab(k,i)=dZZ_Ci(k)
->          dZZ_C1tab(k,i)=dZZ_Ci1(k)
->          dXX_XYZtab(k,i)=dXX_XYZ(k)
->          dYY_XYZtab(k,i)=dYY_XYZ(k)
->          dZZ_XYZtab(k,i)=dZZ_XYZ(k)
->        enddo
-> 
->        do k = 1,3
-> c         write (iout,*) "k",k," dxx_ci1",dxx_ci1(k)," dyy_ci1",
-> c     &    dyy_ci1(k)," dzz_ci1",dzz_ci1(k)
-> c         write (iout,*) "k",k," dxx_ci",dxx_ci(k)," dyy_ci",
-> c     &    dyy_ci(k)," dzz_ci",dzz_ci(k)
-> c         write (iout,*) "k",k," dt_dci",dt_dci(k)," dt_dci",
-> c     &    dt_dci(k)
-> c         write (iout,*) "k",k," dxx_XYZ",dxx_XYZ(k)," dyy_XYZ",
-> c     &    dyy_XYZ(k)," dzz_XYZ",dzz_XYZ(k) 
->          gscloc(k,i-1)=gscloc(k,i-1)+de_dxx*dxx_ci1(k)
->      &    +de_dyy*dyy_ci1(k)+de_dzz*dzz_ci1(k)+de_dt*dt_dCi1(k)
->          gscloc(k,i)=gscloc(k,i)+de_dxx*dxx_Ci(k)
->      &    +de_dyy*dyy_Ci(k)+de_dzz*dzz_Ci(k)+de_dt*dt_dCi(k)
->          gsclocx(k,i)=                 de_dxx*dxx_XYZ(k)
->      &    +de_dyy*dyy_XYZ(k)+de_dzz*dzz_XYZ(k)
->        enddo
-> c       write(iout,*) "ENERGY GRAD = ", (gscloc(k,i-1),k=1,3),
-> c     &  (gscloc(k,i),k=1,3),(gsclocx(k,i),k=1,3)  
-> 
-> C to check gradient call subroutine check_grad
-> 
->     1 continue
->       enddo
->       return
->       end
-> #endif
-3563c4151
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3611c4199
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3694c4282
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3780c4368
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3847a4436,4486
->       subroutine eback_sc_corr(esccor)
-> c 7/21/2007 Correlations between the backbone-local and side-chain-local
-> c        conformational states; temporarily implemented as differences
-> c        between UNRES torsional potentials (dependent on three types of
-> c        residues) and the torsional potentials dependent on all 20 types
-> c        of residues computed from AM1 energy surfaces of terminally-blocked
-> c        amino-acid residues.
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.VAR'
->       include 'COMMON.GEO'
->       include 'COMMON.LOCAL'
->       include 'COMMON.TORSION'
->       include 'COMMON.SCCOR'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.CHAIN'
->       include 'COMMON.NAMES'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       logical lprn
-> C Set lprn=.true. for debugging
->       lprn=.false.
-> c      lprn=.true.
-> c      write (iout,*) "EBACK_SC_COR",iphi_start,iphi_end,nterm_sccor
->       esccor=0.0D0
->       do i=iphi_start,iphi_end
->         esccor_ii=0.0D0
->         itori=itype(i-2)
->         itori1=itype(i-1)
->         phii=phi(i)
->         gloci=0.0D0
->         do j=1,nterm_sccor
->           v1ij=v1sccor(j,itori,itori1)
->           v2ij=v2sccor(j,itori,itori1)
->           cosphi=dcos(j*phii)
->           sinphi=dsin(j*phii)
->           esccor=esccor+v1ij*cosphi+v2ij*sinphi
->           gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi)
->         enddo
->         if (lprn)
->      &  write (iout,'(2(a3,2x,i3,2x),2i3,6f8.3/26x,6f8.3/)')
->      &  restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,itori,itori1,
->      &  (v1sccor(j,itori,itori1),j=1,6),(v2sccor(j,itori,itori1),j=1,6)
->         gsccor_loc(i-3)=gloci
->       enddo
->       return
->       end
-> c------------------------------------------------------------------------------
-4003c4642
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4189c4828
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4498c5137
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4565c5204
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4942c5581
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5059c5698
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5460c6099
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5597c6236
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5703c6342
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5890c6529
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-6006c6645
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-6252c6891
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'

diff --git a/source/cluster/wham/src-M/map b/source/cluster/wham/src-M/map
deleted file mode 100644 (file)
index 9c88872..0000000
--- a/source/cluster/wham/src-M/map
+++ /dev/null
@@ -1,4716 +0,0 @@
-pgf90 -C -g  -c -I. -I../src_MD_T -I../src_MD -I/users/adam/MEY_MD/src -I/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/include -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI -C -g  -c -I. -I../src_MD_T -I../src_MD -I/users/adam/MEY_MD/src -I/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/include initialize_p.F
-pgf90 -C -g  main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o setup_var.o -L/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib -lmpich -lpmpich -m -o /users/adam/ZSCOREZ/bin/unres_clustMD_MPI
-Archive member included because of file (symbol)
-
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abortf.o)
-                              work_partition.o (mpi_abort_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgatherf.o)
-                              read_coords.o (mpi_allgather_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcastf.o)
-                              probabl.o (mpi_bcast_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rankf.o)
-                              main_clust.o (mpi_comm_rank_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_sizef.o)
-                              main_clust.o (mpi_comm_size_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o)
-                              main_clust.o (mpi_dup_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalizef.o)
-                              main_clust.o (mpi_finalize_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gathervf.o)
-                              main_clust.o (mpi_gatherv_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o)
-                              main_clust.o (mpi_init_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(null_copyfnf.o)
-                              main_clust.o (mpi_null_copy_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(null_del_fnf.o)
-                              main_clust.o (mpi_null_delete_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recvf.o)
-                              read_coords.o (mpi_recv_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendf.o)
-                              read_coords.o (mpi_send_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtickf.o)
-                              main_clust.o (mpi_wtick_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtimef.o)
-                              main_clust.o (mpi_wtime_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(farg.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (mpir_iargc_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o) (MPIR_F_TRUE)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfcmn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (mpir_init_fcm_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (MPIR_Error)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendf.o) (MPI_Send)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recvf.o) (MPI_Recv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPIR_Free_perm_type)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abort.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abortf.o) (MPI_Abort)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(init.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (MPI_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(init.o) (MPIR_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalizef.o) (MPI_Finalize)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errorstring.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o) (MPI_Error_string)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Init_dtes)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errfree.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Errhandler_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtime.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtimef.o) (MPI_Wtime)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtick.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtickf.o) (MPI_Wtick)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(nerrmsg.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o) (MPIR_Err_setmsg)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(msgqdllloc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Msg_queue_export)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(util_hbt.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_HBT_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(ptrcvt.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_PointerPerm)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (MPIR_BsendRelease)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyval_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Keyval_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_getval.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Attr_get)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Attr_create_tree)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_putval.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Attr_put)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Group_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_CreateGroup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Comm_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rank.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rankf.o) (MPI_Comm_rank)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_name_put.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPI_Comm_set_name)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_sizef.o) (MPI_Comm_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Comm_make_coll)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o) (MPIR_Context_dealloc)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o) (MPIR_dup_fn)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(barrier.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Barrier)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcast.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcastf.o) (MPI_Bcast)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gatherv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gathervf.o) (MPI_Gatherv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgather.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgatherf.o) (MPI_Allgather)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allreduce.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o) (PMPI_Allreduce)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_MAXF)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(opfree.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Op_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(oputil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Op_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(inter_fns.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPIR_inter_collops)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPIR_intra_collops)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (MPIR_intra_Scan)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Topology_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(statusc2f.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recvf.o) (MPI_Status_c2f)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (p4_proc_info)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (bm_start)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_rm.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (rm_start)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (net_setup_anon_listener)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (create_remote_processes)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_conn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (handle_connection_interrupt)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_sr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (socket_close_conn)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_list.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (listener)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o) (start_slave)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(usc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (usc_init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o) (MPID_SendDatatype)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recv.o) (MPID_RecvDatatype)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_Msg_rep)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2mpack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_PackMessage)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bswap2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o) (MPID_Type_swap_copy)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o) (MPID_DEBUG_FILE)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o) (MPID_CH_InitMsgPass)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Init_hetero)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtick.o) (MPID_CH_Wtick)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_P4_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (MPID_Dump_queues)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_ArgSqueeze)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_SBinit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (MPID_Process_group_init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_PacketFlowSetup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_FinishCancelPackets)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Isend)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Irecv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Wait)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Test)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Cancel)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Waitall)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPI_Sendrecv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o) (PMPI_Testall)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Get_count)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_commit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_contiguous)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o) (MPI_Type_extent)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_indexed)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o) (MPI_Type_lb)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_struct)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Pack_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Pack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Unpack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Breakpoint)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPI_Errhandler_set)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o) (MPIR_Unpack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o) (MPI_Keyval_create)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Reduce)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_global)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (MD_initmem)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_error)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (process_args)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (alloc_local_bm)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_dprintf)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o) (p4_alloc_procgroup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (p4_recv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o) (p4_moninit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (p4_broadcastx)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o) (MPID_IrecvContig)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_SendContig)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o) (MPID_SendCancel)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Eagerb_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Rndvb_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Check_incoming)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Short_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o) (MPID_DebugFlow)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o) (PMPI_Type_hindexed)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o) (MPIR_Pack_Hvector)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o)
-                              main_clust.o (pgf90io_close)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o)
-                              readpdb.o (pghpfio_fmt_read)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o)
-                              main_clust.o (pgf90io_encode_fmt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (__hpfio_errinit)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o)
-                              readrtns.o (pgf90io_fmtr_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtwrite.o)
-                              main_clust.o (pgf90io_fmtw_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o)
-                              /usr/pgi/linux86-64/6.0/lib/f90main.o (pgf90_exit)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o)
-                              readrtns.o (pgf90io_ldr_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o)
-                              main_clust.o (pgf90io_ldw_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o)
-                              main_clust.o (pgf90io_open)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(pgifiodf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (pghpfio)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rewind.o)
-                              misc.o (pgf90io_rewind)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(unf.o)
-                              main_clust.o (pgf90io_unf_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(utils.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o) (__hpfio_alloc_fcb)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o) (__hpf_atoxi64)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o)
-                              parmread.o (pgf90_alloc)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o)
-                              main_clust.o (pghpf_function_entry)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (__hpf_status_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o) (__hpfio_main)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o) (__hpf_abort)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o) (__hpf_malloc_without_abort)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o)
-                              main_clust.o (pgf90_subchk)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o)
-                              main_clust.o (pgf90_template1)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_rrecvl)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(version.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_print_version)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(xfer.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o) (__hpf_getgbuf)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(stat_linux.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_setarg)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo_i8.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__f90_allo_term_i8)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(assign.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o) (__hpfio_assign)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o) (__f90io_conv_buf)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtgetnum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o) (__hpfio_getnum)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fpcvt.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o) (__hpfio_ecvt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(atol.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_strtol)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(defs.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o) (f90DummyGenBlockPtr)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o) (__hpf_describe_replication)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(comm.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o) (pghpf_comm_start)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(copy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o) (pghpf_comm_copy)
-/usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(init_rpm1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_abortx)
-/usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(xfer_rpm1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o) (__hpf_erecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cnfg.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o) (__hpfio_cnfg_)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(bcopy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o) (__hpf_bcopy)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(bcopys.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o) (__hpf_bcopysl)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(buffer.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_zopen)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(chn1t1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(copy.o) (__hpf_chn_1to1)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o) (__hpf_size_of)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cprof.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_prof_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cprof2.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_prof_arecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(genlist.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf902.a(chn1t1.o) (__hpf_initndx)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(hand.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(init_rpm1.o) (__hpf_sethand)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(stat.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_stat_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(trace.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_trac_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(trace2.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_trac_arecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(xfer_heap_dum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o) (__hpf_sbrk)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(dacos.o)
-                              arcos.o (__mth_i_dacos)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(ftncharsup.o)
-                              readrtns.o (ftn_str_copy)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(flush3f.o)
-                              main_clust.o (flush_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getenv3f.o)
-                              readrtns.o (getenv_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(fdate3f.o)
-                              geomout.o (fdate_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getarg3f.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(farg.o) (getarg_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(cvt.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fpcvt.o) (ecvt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(utils3f.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getenv3f.o) (__fstr2cstr)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o) (__fio_eq_str)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(pgifiodf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (pgi_fio)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (__fio_error)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(ftnexit.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o) (ftn_exit)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(open.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (__fio_open)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(close.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(ftnexit.o) (__fio_close)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(cnfg.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(open.o) (__fio_cnfg_)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(pgdummy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o) (__PC_DOS)
-/usr/lib64/libc_nonshared.a(elf-init.oS)
-                              /usr/lib64/crt1.o (__libc_csu_init)
-/usr/lib64/libc_nonshared.a(atexit.oS)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (atexit)
-/usr/pgi/linux86-64/6.0/lib/libnspgc.a(pgdbg_utils.o)
-                              main_clust.o (__pgdbg_stub)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(mthi64.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o) (__utl_i_add64)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dpowi.o)
-                              parmread.o (__mth_i_dpowi)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dfloatuk.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (__mth_i_dfloatuk)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dint.o)
-                              timing.o (__mth_i_dint)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgstdinit.o)
-                              /usr/pgi/linux86-64/6.0/lib/f90main.o (__pgio_environ)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(mpmalloc.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(ftncharsup.o) (_mp_malloc)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(rtcrit.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o) (_mp_bcs_stdio)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgtempnam.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf902.a(cnfg.o) (__pgio_tempnam)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(va_arg.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o) (__builtin_va_gparg1)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgargs.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__pgio_get_argv)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dsincosp.o)
-                              chainbuild.o (__mth_i_dsin)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dtan.o)
-                              energy_p_new.o (__mth_i_dtan)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(datan.o)
-                              initialize_p.o (__mth_i_datan)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(fastmath.o)
-                              srtclust.o (__fmth_i_dlog)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(crit_dum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o) (_mp_p)
-/usr/lib64/libc_nonshared.a(fstat.oS)
-                              /usr/pgi/linux86-64/6.0/lib/libpgc.a(pgstdinit.o) (fstat)
-
-Allocating common symbols
-Common symbol       size              file
-
-__P4LEN             0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-MPIR_I_DOUBLE       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-fnames_             0xf03             main_clust.o
-torsion_            0xfd8             initialize_p.o
-__hpf_zmem          0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-MPI_FLOAT_INT_var   0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_debug_cl       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-total_pack_unacked  0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-contacts_           0xbb88            readrtns.o
-contacts_hb_        0xd973f8          readrtns.o
-stoptim_            0x4               main_clust.o
-execer_mynodenum    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_I_LONG_LONG_INT
-                    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_Op_errno       0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
-p4_global           0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-__hpf_true_log4     0x4               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-logging_flag        0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-rotat_old_          0x2ee0            readrtns.o
-minimm_             0x18              initialize_p.o
-p4_remote_debug_level
-                    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPI_SHORT_INT_var   0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-execer_mastport     0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-restraints_         0x8               initialize_p.o
-csaunits_           0x30              main_clust.o
-execer_numtotnodes  0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-execer_masthost     0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-geo_                0x40              main_clust.o
-stretch_            0x150             main_clust.o
-procgroup_file      0x100             /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPID_recvs          0x20              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
-mpi_data_           0x23c             main_clust.o
-contacts1_          0x2258f8          readrtns.o
-previous_           0x895a1c4         track.o
-MPIR_I_LB           0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-csafiles_           0xc00             main_clust.o
-rm_outfile_head     0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_I_PACKED       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPID_byte_order     0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
-MPIR_real4_dte      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-mpipriv_            0x24              main_clust.o
-__hpf_mask_log4     0x4               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-varref_             0x2710            main_clust.o
-MPI_LONG_INT_var    0x10              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-calcthet_           0x9c              energy_p_new.o
-__hpf_mask_int1     0x1               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-indices_            0x18              chainbuild.o
-sserver_port        0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_errhandlers    0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-locel_              0x208             energy_p_new.o
-listener_info       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-refstruct_          0x2f1c            main_clust.o
-whoami_p4           0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-pghpf_me_           0x4               main_clust.o
-__hpf_shifts        0x88              /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_I_LONG_INT     0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_I_LONG_DOUBLE_INT
-                    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-__hpf_entry_mflag   0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o)
-__hpf_test          0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(defs.o)
-sccalc_             0x28              energy_p_new.o
-MPIR_debug_s        0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-kutas_              0x4               energy_p_new.o
-precomp2_           0x17700           readrtns.o
-MPIR_I_2COMPLEX     0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-body_               0x6c00            main_clust.o
-execer_myhost       0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-__P4FROM            0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-ffield_             0x15c             initialize_p.o
-MPIR_rhandles       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-MPIR_I_2DOUBLE_PRECISION
-                    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-torcnstr_           0x1780            energy_p_new.o
-interact_           0x5f64            main_clust.o
-MPIR_I_COMPLEX      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-derivat_            0x30864c          initialize_p.o
-MPIR_hbt_els        0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(util_hbt.o)
-MPIR_debug_c        0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-__hpf_np2           0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-__hpf_tids          0x8               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-__argv_save         0x8               /usr/pgi/linux86-64/6.0/lib/libpgc.a(pgargs.o)
-MPIR_I_INTEGER      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-__hpf_true_log1     0x1               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-precomp1_           0x16760           readrtns.o
-MPIR_shandles       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-clu_                0x45fb0fc         main_clust.o
-var_                0x5600            main_clust.o
-envar_fortranopt    0x8               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o)
-peptbond_           0x28              chainbuild.o
-__hpf_ioproc        0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-p4_debug_level      0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_I_INT          0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-__hpf_mask_log      0x4               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_I_SHORT        0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-__hpf_mask_int4     0x4               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_I_DOUBLE_INT   0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-invlen_             0xfa0             chainbuild.o
-free_               0xc               main_clust.o
-__hpf_tcpus         0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-p4_local            0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-__hpf_quiet         0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-MPIR_int1_dte       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-__hpf_true_log8     0x8               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_debug_sqel     0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-__P4GLOBALTYPE      0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-MPI_DOUBLE_INT_var  0x10              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-__hpf_pario         0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-links_split_        0x8               initialize_p.o
-deriv_loc_          0x1e0             initialize_p.o
-execer_starting_remotes
-                    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_debug_qh       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-links_              0x1e4             initialize_p.o
-__f90io_conv_buf    0x60              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o)
-__ftn_32in64_       0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o)
-MPIR_I_LONG_DOUBLE  0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-srutu_              0x4               energy_p_new.o
-MPIR_I_DOUBLE_PRECISION
-                    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-__argc_save         0x4               /usr/pgi/linux86-64/6.0/lib/libpgc.a(pgargs.o)
-MPIR_fdtels         0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-__hpf_mask_int8     0x8               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_All_communicators
-                    0x10              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-MPIR_I_REAL         0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-pghpf_0l_           0x20              main_clust.o
-diploc_             0x3938            readrtns.o
-__hpf_lcpu          0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-__hpf_mask_log1     0x1               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-thetas_             0x960             chainbuild.o
-p4_myname_in_procgroup
-                    0x40              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_I_LOGICAL      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-MPI_LONG_DOUBLE_INT_var
-                    0x10              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_debug_q        0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-MPIR_hbts           0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(util_hbt.o)
-MPIR_debug_sq       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-ch_debug_buf        0x80              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-header_             0x50              main_clust.o
-rotat_              0xbb80            readrtns.o
-__hpf_mask_int2     0x2               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-local_domain        0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-__hpf_heapz         0x8               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-pghpf_0_            0x10              main_clust.o
-__hpf_mask_log2     0x2               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-time1_              0x28              main_clust.o
-MPIR_I_2DOUBLE      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_I_UB           0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-calc_               0x1f0             energy_p_new.o
-MPIR_I_2DCOMPLEX    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-__hpf_debug         0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-execer_id           0x84              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-vectors_            0x14820           energy_p_new.o
-tty_orig            0x12              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
-sbridge_            0x74              initialize_p.o
-MPIR_I_2FLOAT       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPID_MyWorldRank    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-MPIR_I_2INTEGER     0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-__P4TYPE            0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-cntrl_              0x44              main_clust.o
-MPIR_int4_dte       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-p4_rm_rank          0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_tid            0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-MPIR_real8_dte      0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-MPIR_I_DCOMPLEX     0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-pghpf_lineno_       0x4               main_clust.o
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-parfiles_           0xa00             main_clust.o
-MPIR_I_FLOAT        0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPID_MyWorldSize    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-hand_start_remotes  0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-MPIR_I_2INT         0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
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-fourier_            0x344             initialize_p.o
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-MPIR_qels           0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-MPIR_I_CHAR         0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_I_FLOAT_INT    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_int2_dte       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-MPIR_dtes           0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-iounits_            0x5c              main_clust.o
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-MPIR_I_USHORT       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_I_UCHAR        0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-__hpf_debugn        0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
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-__hpf_heap_block    0x8               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-MPIR_I_ULONG        0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-expect_ack          0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-bm_outfile          0x64              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-p4_wd               0x100             /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-__hpf_mask_log8     0x8               /usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-MPIR_I_SHORT_INT    0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_topo_els       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-fourier1_           0x1a0             initialize_p.o
-MPIR_I_LONG         0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_I_2REAL        0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-chain_              0xbbb8            main_clust.o
-MPIR_I_UINT         0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-alles_              0x238bdac         main_clust.o
-MPIR_debug_qel      0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-torsiond_           0x14200           initialize_p.o
-dipmat_             0x1e84800         readrtns.o
-sclocal_            0x22cc            chainbuild.o
-MPIR_debug_rh       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-globmemsize         0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-pghpf_0c_           0x1               main_clust.o
-MPID_pack_info      0x10              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-
-Memory Configuration
-
-Name             Origin             Length             Attributes
-*default*        0x0000000000000000 0xffffffffffffffff
-
-Linker script and memory map
-
-LOAD /usr/lib64/crt1.o
-LOAD /usr/lib64/crti.o
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtbegin.o
-LOAD /usr/pgi/linux86-64/6.0/lib/f90main.o
-LOAD main_clust.o
-LOAD arcos.o
-LOAD cartprint.o
-LOAD chainbuild.o
-LOAD convert.o
-LOAD initialize_p.o
-LOAD matmult.o
-LOAD readrtns.o
-LOAD pinorm.o
-LOAD rescode.o
-LOAD intcor.o
-LOAD timing.o
-LOAD misc.o
-LOAD geomout.o
-LOAD readpdb.o
-LOAD read_coords.o
-LOAD parmread.o
-LOAD probabl.o
-LOAD fitsq.o
-LOAD hc.o
-LOAD track.o
-LOAD wrtclust.o
-LOAD srtclust.o
-LOAD noyes.o
-LOAD contact.o
-LOAD printmat.o
-LOAD int_from_cart1.o
-LOAD energy_p_new.o
-LOAD icant.o
-LOAD proc_proc.o
-LOAD work_partition.o
-LOAD setup_var.o
-LOAD /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a
-LOAD /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libpmpich.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf902.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a
-LOAD /usr/lib64/libc.so
-START GROUP
-LOAD /lib64/libc.so.6
-LOAD /usr/lib64/libc_nonshared.a
-END GROUP
-LOAD /usr/pgi/linux86-64/6.0/lib/libnspgc.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgc.a
-LOAD /usr/lib64/libm.so
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/libgcc.a
-LOAD /usr/lib64/libc.so
-START GROUP
-LOAD /lib64/libc.so.6
-LOAD /usr/lib64/libc_nonshared.a
-END GROUP
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/libgcc.a
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtend.o
-LOAD /usr/lib64/crtn.o
-                0x0000000000400000                PROVIDE (__executable_start, 0x400000)
-                0x00000000004001c8                . = (0x400000 + SIZEOF_HEADERS)
-
-.interp         0x00000000004001c8       0x1c
- *(.interp)
- .interp        0x00000000004001c8       0x1c /usr/lib64/crt1.o
-
-.note.ABI-tag   0x00000000004001e4       0x20
- .note.ABI-tag  0x00000000004001e4       0x20 /usr/lib64/crt1.o
-
-.hash           0x0000000000400208      0x494
- *(.hash)
- .hash          0x0000000000400208      0x494 /usr/lib64/crt1.o
-
-.dynsym         0x00000000004006a0      0xf00
- *(.dynsym)
- .dynsym        0x00000000004006a0      0xf00 /usr/lib64/crt1.o
-
-.dynstr         0x00000000004015a0      0x507
- *(.dynstr)
- .dynstr        0x00000000004015a0      0x507 /usr/lib64/crt1.o
-
-.gnu.version    0x0000000000401aa8      0x140
- *(.gnu.version)
- .gnu.version   0x0000000000401aa8      0x140 /usr/lib64/crt1.o
-
-.gnu.version_d
- *(.gnu.version_d)
-
-.gnu.version_r  0x0000000000401be8       0x50
- *(.gnu.version_r)
- .gnu.version_r
-                0x0000000000401be8       0x50 /usr/lib64/crt1.o
-
-.rel.dyn
- *(.rel.init)
- *(.rel.text .rel.text.* .rel.gnu.linkonce.t.*)
- *(.rel.fini)
- *(.rel.rodata .rel.rodata.* .rel.gnu.linkonce.r.*)
- *(.rel.data.rel.ro*)
- *(.rel.data .rel.data.* .rel.gnu.linkonce.d.*)
- *(.rel.tdata .rel.tdata.* .rel.gnu.linkonce.td.*)
- *(.rel.tbss .rel.tbss.* .rel.gnu.linkonce.tb.*)
- *(.rel.ctors)
- *(.rel.dtors)
- *(.rel.got)
- *(.rel.bss .rel.bss.* .rel.gnu.linkonce.b.*)
-
-.rela.dyn       0x0000000000401c38       0x90
- *(.rela.init)
- *(.rela.text .rela.text.* .rela.gnu.linkonce.t.*)
- *(.rela.fini)
- *(.rela.rodata .rela.rodata.* .rela.gnu.linkonce.r.*)
- *(.rela.data .rela.data.* .rela.gnu.linkonce.d.*)
- *(.rela.tdata .rela.tdata.* .rela.gnu.linkonce.td.*)
- *(.rela.tbss .rela.tbss.* .rela.gnu.linkonce.tb.*)
- *(.rela.ctors)
- *(.rela.dtors)
- *(.rela.got)
- .rela.got      0x0000000000401c38       0x18 /usr/lib64/crt1.o
- *(.rela.bss .rela.bss.* .rela.gnu.linkonce.b.*)
- .rela.bss      0x0000000000401c50       0x78 /usr/lib64/crt1.o
-
-.rel.plt
- *(.rel.plt)
-
-.rela.plt       0x0000000000401cc8      0xdc8
- *(.rela.plt)
- .rela.plt      0x0000000000401cc8      0xdc8 /usr/lib64/crt1.o
-
-.init           0x0000000000402a90       0x1d
- *(.init)
- .init          0x0000000000402a90        0x9 /usr/lib64/crti.o
-                0x0000000000402a90                _init
- .init          0x0000000000402a99        0x5 /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtbegin.o
- .init          0x0000000000402a9e        0x5 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
- .init          0x0000000000402aa3        0x5 /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtend.o
- .init          0x0000000000402aa8        0x5 /usr/lib64/crtn.o
-
-.plt            0x0000000000402ab0      0x940
- *(.plt)
- .plt           0x0000000000402ab0      0x940 /usr/lib64/crt1.o
-                0x0000000000402ac0                __cxa_atexit@@GLIBC_2.2.5
-                0x0000000000402ad0                fseek@@GLIBC_2.2.5
-                0x0000000000402ae0                geteuid@@GLIBC_2.2.5
-                0x0000000000402af0                xdr_array@@GLIBC_2.2.5
-                0x0000000000402b00                __libc_start_main@@GLIBC_2.2.5
-                0x0000000000402b10                fork@@GLIBC_2.2.5
-                0x0000000000402b20                catgets@@GLIBC_2.2.5
-                0x0000000000402b30                getrusage@@GLIBC_2.2.5
-                0x0000000000402b40                bcopy@@GLIBC_2.2.5
-                0x0000000000402b50                read@@GLIBC_2.2.5
-                0x0000000000402b60                chdir@@GLIBC_2.2.5
-                0x0000000000402b70                socket@@GLIBC_2.2.5
-                0x0000000000402b80                kill@@GLIBC_2.2.5
-                0x0000000000402b90                ftell@@GLIBC_2.2.5
-                0x0000000000402ba0                xdr_u_int@@GLIBC_2.2.5
-                0x0000000000402bb0                xdr_opaque@@GLIBC_2.2.5
-                0x0000000000402bc0                getchar@@GLIBC_2.2.5
-                0x0000000000402bd0                vsprintf@@GLIBC_2.2.5
-                0x0000000000402be0                write@@GLIBC_2.2.5
-                0x0000000000402bf0                toupper@@GLIBC_2.2.5
-                0x0000000000402c00                sigemptyset@@GLIBC_2.2.5
-                0x0000000000402c10                sigaddset@@GLIBC_2.2.5
-                0x0000000000402c20                wait@@GLIBC_2.2.5
-                0x0000000000402c30                gethostname@@GLIBC_2.2.5
-                0x0000000000402c40                isdigit@@GLIBC_2.2.5
-                0x0000000000402c50                htonl@@GLIBC_2.2.5
-                0x0000000000402c60                _IO_putc@@GLIBC_2.2.5
-                0x0000000000402c70                freopen@@GLIBC_2.2.5
-                0x0000000000402c80                getenv@@GLIBC_2.2.5
-                0x0000000000402c90                malloc@@GLIBC_2.2.5
-                0x0000000000402ca0                ferror@@GLIBC_2.2.5
-                0x0000000000402cb0                strncmp@@GLIBC_2.2.5
-                0x0000000000402cc0                accept@@GLIBC_2.2.5
-                0x0000000000402cd0                modf@@GLIBC_2.2.5
-                0x0000000000402ce0                strncat@@GLIBC_2.2.5
-                0x0000000000402cf0                setsid@@GLIBC_2.2.5
-                0x0000000000402d00                sigaction@@GLIBC_2.2.5
-                0x0000000000402d10                strncpy@@GLIBC_2.2.5
-                0x0000000000402d20                getdtablesize@@GLIBC_2.2.5
-                0x0000000000402d30                execlp@@GLIBC_2.2.5
-                0x0000000000402d40                memmove@@GLIBC_2.2.5
-                0x0000000000402d50                getpeername@@GLIBC_2.2.5
-                0x0000000000402d60                htons@@GLIBC_2.2.5
-                0x0000000000402d70                fwrite@@GLIBC_2.2.5
-                0x0000000000402d80                fclose@@GLIBC_2.2.5
-                0x0000000000402d90                vprintf@@GLIBC_2.2.5
-                0x0000000000402da0                sched_yield@@GLIBC_2.2.5
-                0x0000000000402db0                socketpair@@GLIBC_2.2.5
-                0x0000000000402dc0                xdr_float@@GLIBC_2.2.5
-                0x0000000000402dd0                fcntl@@GLIBC_2.2.5
-                0x0000000000402de0                listen@@GLIBC_2.2.5
-                0x0000000000402df0                feof@@GLIBC_2.2.5
-                0x0000000000402e00                strlen@@GLIBC_2.2.5
-                0x0000000000402e10                select@@GLIBC_2.2.5
-                0x0000000000402e20                getlogin@@GLIBC_2.2.5
-                0x0000000000402e30                ftruncate@@GLIBC_2.2.5
-                0x0000000000402e40                acos@@GLIBC_2.2.5
-                0x0000000000402e50                xdr_u_long@@GLIBC_2.2.5
-                0x0000000000402e60                getsockname@@GLIBC_2.2.5
-                0x0000000000402e70                fgetc@@GLIBC_2.2.5
-                0x0000000000402e80                fread@@GLIBC_2.2.5
-                0x0000000000402e90                inet_ntoa@@GLIBC_2.2.5
-                0x0000000000402ea0                strcpy@@GLIBC_2.2.5
-                0x0000000000402eb0                fprintf@@GLIBC_2.2.5
-                0x0000000000402ec0                perror@@GLIBC_2.2.5
-                0x0000000000402ed0                memcpy@@GLIBC_2.2.5
-                0x0000000000402ee0                strtol@@GLIBC_2.2.5
-                0x0000000000402ef0                fgets@@GLIBC_2.2.5
-                0x0000000000402f00                strcmp@@GLIBC_2.2.5
-                0x0000000000402f10                time@@GLIBC_2.2.5
-                0x0000000000402f20                getsockopt@@GLIBC_2.2.5
-                0x0000000000402f30                connect@@GLIBC_2.2.5
-                0x0000000000402f40                abort@@GLIBC_2.2.5
-                0x0000000000402f50                setsockopt@@GLIBC_2.2.5
-                0x0000000000402f60                realloc@@GLIBC_2.2.5
-                0x0000000000402f70                _exit@@GLIBC_2.2.5
-                0x0000000000402f80                _IO_getc@@GLIBC_2.2.5
-                0x0000000000402f90                fflush@@GLIBC_2.2.5
-                0x0000000000402fa0                ntohl@@GLIBC_2.2.5
-                0x0000000000402fb0                sscanf@@GLIBC_2.2.5
-                0x0000000000402fc0                setlocale@@GLIBC_2.2.5
-                0x0000000000402fd0                sleep@@GLIBC_2.2.5
-                0x0000000000402fe0                xdr_char@@GLIBC_2.2.5
-                0x0000000000402ff0                rindex@@GLIBC_2.2.5
-                0x0000000000403000                index@@GLIBC_2.2.5
-                0x0000000000403010                recv@@GLIBC_2.2.5
-                0x0000000000403020                printf@@GLIBC_2.2.5
-                0x0000000000403030                fileno@@GLIBC_2.2.5
-                0x0000000000403040                open@@GLIBC_2.2.5
-                0x0000000000403050                writev@@GLIBC_2.2.5
-                0x0000000000403060                ctime@@GLIBC_2.2.5
-                0x0000000000403070                xdr_double@@GLIBC_2.2.5
-                0x0000000000403080                uname@@GLIBC_2.2.5
-                0x0000000000403090                atoi@@GLIBC_2.2.5
-                0x00000000004030a0                bzero@@GLIBC_2.2.5
-                0x00000000004030b0                ntohs@@GLIBC_2.2.5
-                0x00000000004030c0                signal@@GLIBC_2.2.5
-                0x00000000004030d0                catopen@@GLIBC_2.2.5
-                0x00000000004030e0                __strtol_internal@@GLIBC_2.2.5
-                0x00000000004030f0                setitimer@@GLIBC_2.2.5
-                0x0000000000403100                nice@@GLIBC_2.2.5
-                0x0000000000403110                strchr@@GLIBC_2.2.5
-                0x0000000000403120                memset@@GLIBC_2.2.5
-                0x0000000000403130                sendto@@GLIBC_2.2.5
-                0x0000000000403140                xdr_short@@GLIBC_2.2.5
-                0x0000000000403150                strerror@@GLIBC_2.2.5
-                0x0000000000403160                unlink@@GLIBC_2.2.5
-                0x0000000000403170                isspace@@GLIBC_2.2.5
-                0x0000000000403180                clearerr@@GLIBC_2.2.5
-                0x0000000000403190                __strtod_internal@@GLIBC_2.2.5
-                0x00000000004031a0                getpid@@GLIBC_2.2.5
-                0x00000000004031b0                dup2@@GLIBC_2.2.5
-                0x00000000004031c0                fputc@@GLIBC_2.2.5
-                0x00000000004031d0                isatty@@GLIBC_2.2.5
-                0x00000000004031e0                fputs@@GLIBC_2.2.5
-                0x00000000004031f0                waitpid@@GLIBC_2.2.5
-                0x0000000000403200                exit@@GLIBC_2.2.5
-                0x0000000000403210                xdr_int@@GLIBC_2.2.5
-                0x0000000000403220                getpwuid@@GLIBC_2.2.5
-                0x0000000000403230                bind@@GLIBC_2.2.5
-                0x0000000000403240                xdr_u_short@@GLIBC_2.2.5
-                0x0000000000403250                calloc@@GLIBC_2.2.5
-                0x0000000000403260                access@@GLIBC_2.2.5
-                0x0000000000403270                sprintf@@GLIBC_2.2.5
-                0x0000000000403280                sigprocmask@@GLIBC_2.2.5
-                0x0000000000403290                __fxstat@@GLIBC_2.2.5
-                0x00000000004032a0                gethostbyname@@GLIBC_2.2.5
-                0x00000000004032b0                ioctl@@GLIBC_2.2.5
-                0x00000000004032c0                close@@GLIBC_2.2.5
-                0x00000000004032d0                __errno_location@@GLIBC_2.2.5
-                0x00000000004032e0                xdr_long@@GLIBC_2.2.5
-                0x00000000004032f0                xdr_u_char@@GLIBC_2.2.5
-                0x0000000000403300                puts@@GLIBC_2.2.5
-                0x0000000000403310                xdrmem_create@@GLIBC_2.2.5
-                0x0000000000403320                free@@GLIBC_2.2.5
-                0x0000000000403330                gettimeofday@@GLIBC_2.2.5
-                0x0000000000403340                fopen@@GLIBC_2.2.5
-                0x0000000000403350                bcmp@@GLIBC_2.2.5
-                0x0000000000403360                shutdown@@GLIBC_2.2.5
-                0x0000000000403370                putchar@@GLIBC_2.2.5
-                0x0000000000403380                strtok@@GLIBC_2.2.5
-                0x0000000000403390                strstr@@GLIBC_2.2.5
-                0x00000000004033a0                sbrk@@GLIBC_2.2.5
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- .text          0x0000000000509380        0x6 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(msgqdllloc.o)
-                0x0000000000509380                MPIR_Msg_queue_export
- *fill*         0x0000000000509386        0xa 90909090
- .text          0x0000000000509390      0xabb /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(util_hbt.o)
-                0x0000000000509560                MPIR_HBT_free_tree
-                0x00000000005094f0                MPIR_HBT_free_node
-                0x0000000000509470                MPIR_HBT_new_node
-                0x00000000005098e0                MPIR_HBT_delete
-                0x0000000000509410                MPIR_HBT_new_tree
-                0x0000000000509390                MPIR_HBT_Init
-                0x0000000000509610                MPIR_HBT_insert
-                0x00000000005093e0                MPIR_HBT_Free
-                0x00000000005095b0                MPIR_HBT_lookup
-                0x0000000000509520                MPIR_HBT_free_subtree
- *fill*         0x0000000000509e4b        0x5 90909090
- .text          0x0000000000509e50      0xce6 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(ptrcvt.o)
-                0x0000000000509fa0                MPIR_DestroyPointer
-                0x000000000050a910                MPIR_DumpPointers
-                0x000000000050a190                MPIR_FromPointer
-                0x0000000000509e70                MPIR_PointerOpts
-                0x0000000000509e50                MPIR_PointerPerm
-                0x000000000050a6e0                MPIR_RegPointerIdx
-                0x000000000050a410                MPIR_RmPointer
-                0x000000000050a010                MPIR_ToPointer
-                0x000000000050a5d0                MPIR_UsePointer
- *fill*         0x000000000050ab36        0xa 90909090
- .text          0x000000000050ab40      0x974 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o)
-                0x000000000050ac00                MPIR_BsendRelease
-                0x000000000050b330                MPIR_IbsendDatatype
-                0x000000000050ab40                MPIR_BsendInitBuffer
- *fill*         0x000000000050b4b4        0xc 90909090
- .text          0x000000000050b4c0      0x1da /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyval_free.o)
-                0x000000000050b4c0                PMPI_Keyval_free
-                0x000000000050b4c0                MPI_Keyval_free
- *fill*         0x000000000050b69a        0x6 90909090
- .text          0x000000000050b6a0      0x17d /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_getval.o)
-                0x000000000050b6a0                PMPI_Attr_get
-                0x000000000050b6a0                MPI_Attr_get
- *fill*         0x000000000050b81d        0x3 90909090
- .text          0x000000000050b820      0x682 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_util.o)
-                0x000000000050bca0                MPIR_Attr_free_tree
-                0x000000000050be90                MPIR_Attr_make_perm
-                0x000000000050b820                MPIR_Attr_copy_node
-                0x000000000050baf0                MPIR_Attr_free_node
-                0x000000000050ba90                MPIR_Attr_copy
-                0x000000000050bc20                MPIR_Attr_free_subtree
-                0x000000000050b9f0                MPIR_Attr_copy_subtree
-                0x000000000050bd70                MPIR_Keyval_create
-                0x000000000050bd40                MPIR_Attr_create_tree
-                0x000000000050bd20                MPIR_Attr_dup_tree
- *fill*         0x000000000050bea2        0xe 90909090
- .text          0x000000000050beb0      0x2cd /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_putval.o)
-                0x000000000050beb0                PMPI_Attr_put
-                0x000000000050beb0                MPI_Attr_put
- *fill*         0x000000000050c17d        0x3 90909090
- .text          0x000000000050c180      0x1bb /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_free.o)
-                0x000000000050c180                PMPI_Group_free
-                0x000000000050c180                MPI_Group_free
- *fill*         0x000000000050c33b        0x5 90909090
- .text          0x000000000050c340      0x3ed /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_util.o)
-                0x000000000050c340                MPIR_CreateGroup
-                0x000000000050c480                MPIR_SetToIdentity
-                0x000000000050c620                MPIR_Dump_ranges
-                0x000000000050c5a0                MPIR_Dump_ranks
-                0x000000000050c6b0                MPIR_Powers_of_2
-                0x000000000050c430                MPIR_FreeGroup
-                0x000000000050c4d0                MPIR_Dump_group
-                0x000000000050c720                MPIR_Group_N2_prev
- *fill*         0x000000000050c72d        0x3 90909090
- .text          0x000000000050c730      0x295 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o)
-                0x000000000050c730                MPI_Comm_free
-                0x000000000050c730                PMPI_Comm_free
- *fill*         0x000000000050c9c5        0xb 90909090
- .text          0x000000000050c9d0       0xc5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rank.o)
-                0x000000000050c9d0                PMPI_Comm_rank
-                0x000000000050c9d0                MPI_Comm_rank
- *fill*         0x000000000050ca95        0xb 90909090
- .text          0x000000000050caa0      0x1db /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_name_put.o)
-                0x000000000050caa0                PMPI_Comm_set_name
-                0x000000000050caa0                MPI_Comm_set_name
- *fill*         0x000000000050cc7b        0x5 90909090
- .text          0x000000000050cc80      0x129 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_size.o)
-                0x000000000050cc80                MPI_Comm_size
-                0x000000000050cc80                PMPI_Comm_size
- *fill*         0x000000000050cda9        0x7 90909090
- .text          0x000000000050cdb0      0x604 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o)
-                0x000000000050cf40                MPIR_Comm_N2_prev
-                0x000000000050d2d0                MPIR_Sort_split_table
-                0x000000000050d210                MPIR_Comm_remember
-                0x000000000050d290                MPIR_Comm_collops_init
-                0x000000000050cdb0                MPIR_Comm_make_coll
-                0x000000000050d180                MPIR_Comm_init
-                0x000000000050d080                MPIR_Intercomm_high
-                0x000000000050d240                MPIR_Comm_forget
-                0x000000000050cf60                MPIR_Dump_comm
- *fill*         0x000000000050d3b4        0xc 90909090
- .text          0x000000000050d3c0      0x138 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o)
-                0x000000000050d3c0                MPIR_Context_alloc
-                0x000000000050d4f0                MPIR_Context_dealloc
- *fill*         0x000000000050d4f8        0x8 90909090
- .text          0x000000000050d500       0x12 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fn.o)
-                0x000000000050d500                MPIR_dup_fn
- *fill*         0x000000000050d512        0xe 90909090
- .text          0x000000000050d520      0x11c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(barrier.o)
-                0x000000000050d520                PMPI_Barrier
-                0x000000000050d520                MPI_Barrier
- *fill*         0x000000000050d63c        0x4 90909090
- .text          0x000000000050d640      0x2bf /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcast.o)
-                0x000000000050d640                PMPI_Bcast
-                0x000000000050d640                MPI_Bcast
- *fill*         0x000000000050d8ff        0x1 90909090
- .text          0x000000000050d900      0x395 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gatherv.o)
-                0x000000000050d900                MPI_Gatherv
-                0x000000000050d900                PMPI_Gatherv
- *fill*         0x000000000050dc95        0xb 90909090
- .text          0x000000000050dca0      0x3a5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgather.o)
-                0x000000000050dca0                MPI_Allgather
-                0x000000000050dca0                PMPI_Allgather
- *fill*         0x000000000050e045        0xb 90909090
- .text          0x000000000050e050      0x2cf /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allreduce.o)
-                0x000000000050e050                PMPI_Allreduce
-                0x000000000050e050                MPI_Allreduce
- *fill*         0x000000000050e31f        0x1 90909090
- .text          0x000000000050e320     0x54f0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
-                0x0000000000510ed0                MPIR_LXOR
-                0x000000000050ef30                MPIR_SUM
-                0x0000000000510b10                MPIR_BOR
-                0x0000000000510450                MPIR_LOR
-                0x000000000050e920                MPIR_MINF
-                0x000000000050f450                MPIR_PROD
-                0x0000000000511b80                MPIR_MAXLOC
-                0x000000000050e320                MPIR_MAXF
-                0x0000000000510090                MPIR_BAND
-                0x00000000005117c0                MPIR_BXOR
-                0x00000000005129c0                MPIR_MINLOC
-                0x000000000050f9d0                MPIR_LAND
- .text          0x0000000000513810      0x159 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(opfree.o)
-                0x0000000000513810                PMPI_Op_free
-                0x0000000000513810                MPI_Op_free
- *fill*         0x0000000000513969        0x7 90909090
- .text          0x0000000000513970       0x91 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(oputil.o)
-                0x0000000000513970                MPIR_Op_setup
- *fill*         0x0000000000513a01        0xf 90909090
- .text          0x0000000000513a10      0x2cd /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(inter_fns.o)
- *fill*         0x0000000000513cdd        0x3 90909090
- .text          0x0000000000513ce0     0x5e67 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o)
- *fill*         0x0000000000519b47        0x9 90909090
- .text          0x0000000000519b50      0x400 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o)
-                0x0000000000519b50                MPIR_intra_Scan
- .text          0x0000000000519f50      0x335 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o)
-                0x000000000051a270                MPIR_Topology_finalize
-                0x000000000051a240                MPIR_Topology_init
-                0x0000000000519fa0                MPIR_Topology_copy_fn
-                0x0000000000519f80                MPIR_Topology_Free
-                0x0000000000519f50                MPIR_Topology_Init
-                0x000000000051a1e0                MPIR_Topology_delete_fn
- *fill*         0x000000000051a285        0xb 90909090
- .text          0x000000000051a290       0x8c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(statusc2f.o)
-                0x000000000051a290                PMPI_Status_c2f
-                0x000000000051a290                MPI_Status_c2f
- *fill*         0x000000000051a31c        0x4 90909090
- .text          0x000000000051a320     0x1bf0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o)
-                0x000000000051ad60                in_same_cluster
-                0x000000000051a670                p4_get_cluster_masters
-                0x000000000051a6f0                p4_get_my_id_from_proc
-                0x000000000051a320                p4_post_init
-                0x000000000051bb00                get_qualified_hostname
-                0x000000000051a630                p4_global_barrier
-                0x000000000051a360                p4_machine_type
-                0x000000000051acb0                p4_get_my_cluster_id
-                0x000000000051a5d0                p4_num_cluster_ids
-                0x000000000051bbc0                same_data_representation
-                0x000000000051ada0                p4_cluster_shmem_sync
-                0x000000000051a5c0                p4_shfree
-                0x000000000051a570                p4_shmalloc
-                0x000000000051bca0                put_execer_port
-                0x000000000051ad00                p4_am_i_cluster_master
-                0x000000000051b670                fork_p4
-                0x000000000051ac90                p4_get_my_id
-                0x000000000051a5f0                p4_num_total_ids
-                0x000000000051b750                zap_p4_processes
-                0x000000000051b080                p4_accept_wait_timeout
-                0x000000000051bda0                init_usclock
-                0x000000000051bd90                clean_execer_port
-                0x000000000051ae20                get_pipe
-                0x000000000051ae80                setup_conntab
-                0x000000000051a330                p4_version
-                0x000000000051a6d0                p4_get_cluster_ids
-                0x000000000051a610                p4_num_total_slaves
-                0x000000000051bc20                p4_proc_info
-                0x000000000051a390                p4_initenv
-                0x000000000051b0b0                p4_wait_for_end
-                0x000000000051bdf0                p4_usclock
-                0x000000000051b7d0                zap_remote_p4_processes
- .text          0x000000000051bf10     0x121e /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o)
-                0x000000000051cef0                send_proc_table
-                0x000000000051c1c0                p4_startup
-                0x000000000051bf10                bm_start
-                0x000000000051c100                p4_create_procgroup
-                0x000000000051cd90                sync_with_remotes
-                0x000000000051c400                create_bm_processes
-                0x000000000051cb10                procgroup_to_proctable
- *fill*         0x000000000051d12e        0x2 90909090
- .text          0x000000000051d130     0x10a5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_rm.o)
-                0x000000000051e010                receive_proc_table
-                0x000000000051d840                create_rm_processes
-                0x000000000051d130                rm_start
- *fill*         0x000000000051e1d5        0xb 90909090
- .text          0x000000000051e1e0     0x1f79 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_util.o)
-                0x000000000051ee20                net_conn_to_listener
-                0x000000000051fbe0                get_inet_addr
-                0x000000000051eaa0                net_accept
-                0x0000000000520120                p4_make_socket_nonblocking
-                0x000000000051f420                net_send
-                0x000000000051fc60                p4_print_sock_params
-                0x000000000051ff70                mpiexec_reopen_stdin
-                0x000000000051fc30                get_inet_addr_str
-                0x000000000051fa60                p4_timein_hostbyname
-                0x000000000051e270                p4_socket_control
-                0x000000000051fef0                dump_sockinfo
-                0x000000000051f5d0                net_send_w
-                0x000000000051e790                net_setup_listener
-                0x000000000051f0e0                net_recv
-                0x000000000051fe70                dump_sockaddr
-                0x000000000051fa80                gethostbyname_p4
-                0x000000000051e900                net_setup_anon_listener
-                0x000000000051f7b0                net_send2
-                0x000000000051fbd0                gethostname_p4
-                0x000000000051e610                net_set_sockbuf_size
-                0x000000000051f950                p4_socket_stat
- *fill*         0x0000000000520159        0x7 90909090
- .text          0x0000000000520160     0x12e2 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o)
-                0x0000000000520820                p4_accept_sigchild
-                0x0000000000520370                net_slave_info
-                0x00000000005208d0                net_create_slave
-                0x0000000000520780                p4_accept_timeout
-                0x0000000000520160                create_remote_processes
- *fill*         0x0000000000521442        0xe 90909090
- .text          0x0000000000521450      0xb74 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_conn.o)
-                0x00000000005214d0                p4_establish_all_conns
-                0x0000000000521450                p4_has_timedout
-                0x0000000000521570                establish_connection
-                0x0000000000521a40                handle_connection_interrupt
-                0x0000000000521680                request_connection
- *fill*         0x0000000000521fc4        0xc 90909090
- .text          0x0000000000521fd0     0x1a35 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_sr.o)
-                0x00000000005229e0                socket_recv_on_fd
-                0x0000000000522d10                sock_msg_avail_on_fd
-                0x0000000000522670                socket_recv
-                0x0000000000523330                p4_sockets_ready
-                0x0000000000523750                p4_look_for_close
-                0x0000000000523290                shutdown_p4_socks
-                0x0000000000522c60                socket_msgs_available
-                0x0000000000522e90                xdr_recv
-                0x0000000000523140                wait_for_ack
-                0x0000000000523830                p4_wait_for_socket_msg
-                0x0000000000522590                socket_close_conn
-                0x0000000000521fd0                xdr_send
-                0x00000000005231f0                send_ack
-                0x00000000005223c0                socket_send
- *fill*         0x0000000000523a05        0xb 90909090
- .text          0x0000000000523a10      0xcb1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_list.o)
-                0x0000000000524440                net_recv_timeout
-                0x0000000000523a10                listener
- *fill*         0x00000000005246c1        0xf 90909090
- .text          0x00000000005246d0      0xbac /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
-                0x00000000005246d0                start_slave
-                0x00000000005251c0                getpw_ss
- *fill*         0x000000000052527c        0x4 90909090
- .text          0x0000000000525280       0x88 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(usc.o)
-                0x00000000005252d0                usc_MD_clock
-                0x0000000000525280                usc_init
- *fill*         0x0000000000525308        0x8 90909090
- .text          0x0000000000525310      0xc68 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-                0x0000000000525ea0                MPID_SetPktSize
-                0x0000000000525f00                MPID_WaitForCompleteRecv
-                0x0000000000525650                MPID_Abort
-                0x0000000000525310                MPID_Init
-                0x0000000000525f40                MPID_Version_name
-                0x0000000000525ca0                MPID_Complete_pending
-                0x0000000000525ec0                MPID_WaitForCompleteSend
-                0x0000000000525830                MPID_End
-                0x0000000000525990                MPID_DeviceCheck
- *fill*         0x0000000000525f78        0x8 90909090
- .text          0x0000000000525f80      0x348 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o)
-                0x0000000000525f80                MPID_SendDatatype
-                0x0000000000526100                MPID_IsendDatatype
- *fill*         0x00000000005262c8        0x8 90909090
- .text          0x00000000005262d0      0x57f /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o)
-                0x0000000000526360                MPID_IrecvDatatype
-                0x00000000005262d0                MPID_RecvDatatype
- *fill*         0x000000000052684f        0x1 90909090
- .text          0x0000000000526850      0x4bb /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o)
-                0x00000000005269e0                MPID_Msg_act
-                0x0000000000526850                MPID_Msg_rep
-                0x0000000000526b70                MPID_Pack
-                0x0000000000526af0                MPID_Pack_size
-                0x0000000000526c90                MPID_Unpack
- *fill*         0x0000000000526d0b        0x5 90909090
- .text          0x0000000000526d10      0x2f5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2mpack.o)
-                0x0000000000526d10                MPID_PackMessage
-                0x0000000000526e10                MPID_PackMessageFree
-                0x0000000000526e50                MPID_UnpackMessageSetup
-                0x0000000000526ed0                MPID_UnpackMessageComplete
- *fill*         0x0000000000527005        0xb 90909090
- .text          0x0000000000527010     0x13e5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bswap2.o)
-                0x0000000000527890                MPID_Mem_XDR_ByteDecode
-                0x0000000000527e20                MPID_Type_XDR_decode
-                0x00000000005272f0                MPID_Type_swap_inplace
-                0x0000000000527460                MPID_Mem_convert_len
-                0x00000000005274b0                MPID_Mem_XDR_Len
-                0x0000000000527010                MPID_BSwap_N_inplace
-                0x0000000000527a90                MPID_Type_XDR_encode
-                0x0000000000527950                MPID_Mem_XDR_Decode_Logical
-                0x0000000000527670                MPID_Mem_XDR_Encode_Logical
-                0x0000000000527500                MPID_Mem_XDR_Encode
-                0x0000000000527120                MPID_Type_swap_copy
-                0x00000000005274c0                MPID_Mem_XDR_Init
-                0x00000000005274e0                MPID_Mem_XDR_Free
-                0x00000000005275d0                MPID_Mem_XDR_ByteEncode
-                0x0000000000527770                MPID_Mem_XDR_Decode
-                0x00000000005270b0                MPID_BSwap_N_copy
- *fill*         0x00000000005283f5        0xb 90909090
- .text          0x0000000000528400      0xae6 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
-                0x0000000000528d60                MPID_SetMsgDebugFlag
-                0x0000000000528af0                MPID_Print_Send_Handle
-                0x0000000000528da0                MPID_Print_rhandle
-                0x0000000000528880                MPID_Get_print_pkt
-                0x0000000000528400                MPID_Rndv_print_pkt
-                0x0000000000528e10                MPID_Print_Short_data
-                0x00000000005285e0                MPID_Print_packet
-                0x0000000000528b30                MPID_SetDebugFile
-                0x0000000000528890                MPID_Print_mode
-                0x0000000000528a20                MPID_Print_pkt_data
-                0x0000000000528d90                MPID_PrintMsgDebug
-                0x0000000000528d40                MPID_SetDebugFlag
-                0x0000000000528dd0                MPID_Print_shandle
-                0x0000000000528530                MPID_Cancel_print_pkt
-                0x0000000000528c30                MPID_Set_tracefile
-                0x0000000000528d30                MPID_SetSpaceDebugFlag
-                0x0000000000528d80                MPID_GetMsgDebugFlag
- *fill*         0x0000000000528ee6        0xa 90909090
- .text          0x0000000000528ef0      0x4b8 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
-                0x0000000000529130                MPID_CH_Abort
-                0x0000000000528ef0                MPID_CH_InitMsgPass
-                0x00000000005291e0                MPID_CH_End
-                0x0000000000529370                MPID_CH_Version_name
- *fill*         0x00000000005293a8        0x8 90909090
- .text          0x00000000005293b0      0x832 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
-                0x0000000000529a60                MPID_CH_Pkt_unpack
-                0x0000000000529b50                MPID_GetByteOrder
-                0x0000000000529960                MPID_CH_Pkt_pack
-                0x00000000005298a0                MPID_CH_Comm_msgrep
-                0x00000000005293b0                MPID_CH_Init_hetero
-                0x0000000000529b30                MPID_CH_Hetero_free
-                0x0000000000529b90                MPID_ByteSwapInt
- *fill*         0x0000000000529be2        0xe 90909090
- .text          0x0000000000529bf0       0xd0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
-                0x0000000000529bf0                MPID_CH_Wtick
- .text          0x0000000000529cc0      0x51b /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-                0x000000000052a1a0                MPID_P4_End
-                0x0000000000529cc0                MPID_P4_Init
- *fill*         0x000000000052a1db        0x5 90909090
- .text          0x000000000052a1e0      0x8da /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
-                0x000000000052a790                MPID_Search_unexpected_queue
-                0x000000000052a9e0                MPID_Search_unexpected_queue_and_post
-                0x000000000052a8a0                MPID_Msg_arrived
-                0x000000000052a1e0                MPID_Dump_queues
-                0x000000000052a6e0                MPID_Search_unexpected_for_request
-                0x000000000052aa60                MPID_InitQueue
-                0x000000000052a200                MPID_Dump_queue
-                0x000000000052a5a0                MPID_Dequeue
- *fill*         0x000000000052aaba        0x6 90909090
- .text          0x000000000052aac0      0x632 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
-                0x000000000052aac0                MPID_GetIntParameter
-                0x000000000052aaf0                MPID_ArgSqueeze
-                0x000000000052ab70                MPID_ProcessArgs
- *fill*         0x000000000052b0f2        0xe 90909090
- .text          0x000000000052b100      0x3ee /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
-                0x000000000052b300                MPID_SBdestroy
-                0x000000000052b100                MPID_SBinit
-                0x000000000052b4a0                MPID_SBReleaseAvail
-                0x000000000052b440                MPID_SBDump
-                0x000000000052b290                MPID_SBalloc
-                0x000000000052b1c0                MPID_SBiAllocate
-                0x000000000052b360                MPID_SBrelease
-                0x000000000052b2e0                MPID_SBPrealloc
-                0x000000000052b1a0                MPID_SBfree
-                0x000000000052b3b0                MPID_SBFlush
- *fill*         0x000000000052b4ee        0x2 90909090
- .text          0x000000000052b4f0       0x52 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
-                0x000000000052b4f0                MPID_Process_group_init
- *fill*         0x000000000052b542        0xe 90909090
- .text          0x000000000052b550      0xc0a /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-                0x000000000052b610                MPID_SendProtoAck
-                0x000000000052bd90                MPID_FinishRecvPackets
-                0x000000000052b550                MPID_PacketFlowSetup
-                0x000000000052b880                MPID_RecvProtoAck
-                0x000000000052c130                MPID_PackDelete
- *fill*         0x000000000052c15a        0x6 90909090
- .text          0x000000000052c160      0x9fc /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
-                0x000000000052c380                MPID_SendCancelOkPacket
-                0x000000000052c160                MPID_SendCancelPacket
-                0x000000000052c900                MPID_FinishCancelPackets
-                0x000000000052c680                MPID_RecvCancelOkPacket
- *fill*         0x000000000052cb5c        0x4 90909090
- .text          0x000000000052cb60      0x3b1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
-                0x000000000052cb60                PMPI_Isend
-                0x000000000052cb60                MPI_Isend
- *fill*         0x000000000052cf11        0xf 90909090
- .text          0x000000000052cf20      0x3c1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
-                0x000000000052cf20                PMPI_Irecv
-                0x000000000052cf20                MPI_Irecv
- *fill*         0x000000000052d2e1        0xf 90909090
- .text          0x000000000052d2f0       0xad /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
-                0x000000000052d2f0                PMPI_Wait
-                0x000000000052d2f0                MPI_Wait
- *fill*         0x000000000052d39d        0x3 90909090
- .text          0x000000000052d3a0       0xf5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
-                0x000000000052d3a0                PMPI_Test
-                0x000000000052d3a0                MPI_Test
- *fill*         0x000000000052d495        0xb 90909090
- .text          0x000000000052d4a0      0x269 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
-                0x000000000052d4a0                MPI_Cancel
-                0x000000000052d4a0                PMPI_Cancel
- *fill*         0x000000000052d709        0x7 90909090
- .text          0x000000000052d710      0x5fc /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
-                0x000000000052d710                PMPI_Waitall
-                0x000000000052d710                MPI_Waitall
- *fill*         0x000000000052dd0c        0x4 90909090
- .text          0x000000000052dd10      0x271 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
-                0x000000000052dd10                PMPI_Sendrecv
-                0x000000000052dd10                MPI_Sendrecv
- *fill*         0x000000000052df81        0xf 90909090
- .text          0x000000000052df90      0x5df /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
-                0x000000000052df90                MPI_Testall
-                0x000000000052df90                PMPI_Testall
- *fill*         0x000000000052e56f        0x1 90909090
- .text          0x000000000052e570      0x195 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
-                0x000000000052e570                PMPI_Get_count
-                0x000000000052e570                MPI_Get_count
- *fill*         0x000000000052e705        0xb 90909090
- .text          0x000000000052e710      0x21f /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
-                0x000000000052e710                MPI_Type_commit
-                0x000000000052e710                PMPI_Type_commit
- *fill*         0x000000000052e92f        0x1 90909090
- .text          0x000000000052e930      0x408 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
-                0x000000000052e930                PMPI_Type_contiguous
-                0x000000000052e930                MPI_Type_contiguous
- *fill*         0x000000000052ed38        0x8 90909090
- .text          0x000000000052ed40       0xe3 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
-                0x000000000052ed40                MPI_Type_extent
-                0x000000000052ed40                PMPI_Type_extent
- *fill*         0x000000000052ee23        0xd 90909090
- .text          0x000000000052ee30      0x1c9 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
-                0x000000000052ee30                MPI_Type_free
-                0x000000000052ee30                PMPI_Type_free
- *fill*         0x000000000052eff9        0x7 90909090
- .text          0x000000000052f000      0x382 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
-                0x000000000052f000                MPI_Type_indexed
-                0x000000000052f000                PMPI_Type_indexed
- *fill*         0x000000000052f382        0xe 90909090
- .text          0x000000000052f390      0x137 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
-                0x000000000052f390                MPI_Type_lb
-                0x000000000052f390                PMPI_Type_lb
- *fill*         0x000000000052f4c7        0x9 90909090
- .text          0x000000000052f4d0      0x146 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
-                0x000000000052f4d0                MPI_Type_size
-                0x000000000052f4d0                PMPI_Type_size
- *fill*         0x000000000052f616        0xa 90909090
- .text          0x000000000052f620      0x8fe /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
-                0x000000000052f620                MPI_Type_struct
-                0x000000000052f620                PMPI_Type_struct
- *fill*         0x000000000052ff1e        0x2 90909090
- .text          0x000000000052ff20      0x266 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
-                0x000000000052ff20                PMPI_Pack_size
-                0x000000000052ff20                MPI_Pack_size
- *fill*         0x0000000000530186        0xa 90909090
- .text          0x0000000000530190      0x3af /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
-                0x0000000000530190                PMPI_Pack
-                0x0000000000530190                MPI_Pack
- *fill*         0x000000000053053f        0x1 90909090
- .text          0x0000000000530540      0x393 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
-                0x0000000000530540                PMPI_Unpack
-                0x0000000000530540                MPI_Unpack
- *fill*         0x00000000005308d3        0xd 90909090
- .text          0x00000000005308e0      0x172 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-                0x00000000005308f0                MPIR_Breakpoint
- *fill*         0x0000000000530a52        0xe 90909090
- .text          0x0000000000530a60      0x1ae /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
-                0x0000000000530a60                PMPI_Errhandler_set
-                0x0000000000530a60                MPI_Errhandler_set
- *fill*         0x0000000000530c0e        0x2 90909090
- .text          0x0000000000530c10      0xe1c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
-                0x00000000005311b0                MPIR_Unpack2
-                0x00000000005318f0                MPIR_PrintDatatypeUnpack
-                0x0000000000531680                MPIR_Elementcnt
-                0x0000000000530c10                MPIR_Unpack
-                0x00000000005317b0                MPIR_Printcontig2a
-                0x0000000000530d00                MPIR_Pack2
-                0x00000000005316f0                MPIR_Printcontig
-                0x0000000000531820                MPIR_PrintDatatypePack
-                0x0000000000531750                MPIR_Printcontig2
- *fill*         0x0000000000531a2c        0x4 90909090
- .text          0x0000000000531a30       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
-                0x0000000000531a30                PMPI_Keyval_create
-                0x0000000000531a30                MPI_Keyval_create
- *fill*         0x0000000000531a44        0xc 90909090
- .text          0x0000000000531a50      0x2df /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
-                0x0000000000531a50                PMPI_Reduce
-                0x0000000000531a50                MPI_Reduce
- *fill*         0x0000000000531d2f        0x1 90909090
- .text          0x0000000000531d30      0x520 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
-                0x0000000000531d40                MD_initenv
-                0x0000000000531d70                MD_shfree
-                0x0000000000531d50                MD_malloc_hint
-                0x0000000000531d60                MD_shmalloc
-                0x0000000000531db0                MD_clock
-                0x0000000000531d80                MD_set_reference_time
-                0x0000000000531e10                data_representation
-                0x0000000000531d30                MD_initmem
- .text          0x0000000000532250      0x6a2 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
-                0x00000000005328e0                p4_set_hard_errors
-                0x0000000000532250                p4_soft_errors
-                0x0000000000532600                trap_sig_errs
-                0x00000000005322a0                p4_error
- *fill*         0x00000000005328f2        0xe 90909090
- .text          0x0000000000532900      0xbfd /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
-                0x0000000000532900                process_args
- *fill*         0x00000000005334fd        0x3 90909090
- .text          0x0000000000533500      0x99d /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
-                0x0000000000533ad0                free_p4_msg
-                0x0000000000533820                init_avail_buffs
-                0x00000000005335f0                alloc_local_rm
-                0x0000000000533930                alloc_p4_msg
-                0x0000000000533500                alloc_local_bm
-                0x0000000000533720                alloc_local_slave
-                0x0000000000533c20                free_avail_buffs
-                0x00000000005336d0                alloc_local_listener
-                0x0000000000533e10                alloc_listener_info
-                0x0000000000533880                p4_print_avail_buffs
-                0x0000000000533cb0                alloc_global
-                0x00000000005337f0                p4_set_avail_buff
- *fill*         0x0000000000533e9d        0x3 90909090
- .text          0x0000000000533ea0      0x7de /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
-                0x0000000000534270                dump_local
-                0x0000000000534130                dump_global
-                0x00000000005343a0                print_conn_type
-                0x0000000000533ff0                p4_dprint_last
-                0x0000000000533ed0                p4_dprintf
-                0x0000000000533ea0                p4_get_dbg_level
-                0x00000000005345c0                dump_conntab
-                0x0000000000534580                dump_tmsg
-                0x0000000000533eb0                p4_set_dbg_level
-                0x00000000005344e0                dump_procgroup
-                0x0000000000534000                p4_dprintfl
-                0x0000000000534480                dump_listener
- *fill*         0x000000000053467e        0x2 90909090
- .text          0x0000000000534680      0x4ad /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
-                0x00000000005346e0                read_procgroup
-                0x0000000000534680                p4_alloc_procgroup
-                0x00000000005349e0                install_in_proctable
- *fill*         0x0000000000534b2d        0x3 90909090
- .text          0x0000000000534b30      0xc01 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
-                0x0000000000535530                initialize_msg_queue
-                0x0000000000535550                alloc_quel
-                0x0000000000535130                queue_p4_message
-                0x00000000005354f0                p4_msg_alloc
-                0x0000000000535430                get_tmsg
-                0x0000000000535660                free_avail_quels
-                0x0000000000535190                send_message
-                0x0000000000534f10                recv_message
-                0x00000000005356d0                p4_yield
-                0x0000000000535510                p4_msg_free
-                0x0000000000534f50                p4_any_messages_available
-                0x0000000000535620                free_quel
-                0x0000000000535000                p4_messages_available
-                0x0000000000534b30                search_p4_queue
-                0x00000000005356e0                p4_waitformsg
-                0x0000000000534d30                p4_recv
- *fill*         0x0000000000535731        0xf 90909090
- .text          0x0000000000535740      0x4d3 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
-                0x00000000005359d0                p4_askfor
-                0x0000000000535b80                p4_progend
-                0x0000000000535940                p4_barrier_init
-                0x0000000000535860                num_in_mon_queue
-                0x0000000000535800                p4_mexit
-                0x0000000000535830                p4_mcontinue
-                0x0000000000535810                p4_mdelay
-                0x0000000000535880                p4_getsub_init
-                0x0000000000535b40                p4_probend
-                0x0000000000535960                p4_barrier
-                0x00000000005358a0                p4_getsubs
-                0x00000000005357f0                p4_menter
-                0x0000000000535af0                p4_update
-                0x00000000005359b0                p4_askfor_init
-                0x0000000000535740                p4_moninit
-                0x0000000000535bc0                p4_create
- *fill*         0x0000000000535c13        0xd 90909090
- .text          0x0000000000535c20     0x1188 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
-                0x0000000000536a30                p4_flt_absmin_op
-                0x0000000000536cc0                p4_int_absmin_op
-                0x0000000000536950                p4_flt_absmax_op
-                0x00000000005364d0                p4_dbl_sum_op
-                0x00000000005365c0                p4_dbl_min_op
-                0x0000000000536220                p4_global_op
-                0x0000000000536710                p4_dbl_absmin_op
-                0x0000000000536810                p4_flt_sum_op
-                0x0000000000536860                p4_flt_mult_op
-                0x0000000000535c20                p4_broadcastx
-                0x0000000000536520                p4_dbl_mult_op
-                0x0000000000535cf0                subtree_broadcast_p4
-                0x0000000000536b90                p4_int_max_op
-                0x0000000000536bd0                p4_int_min_op
-                0x0000000000536c10                p4_int_absmax_op
-                0x0000000000536b10                p4_int_sum_op
-                0x0000000000536610                p4_dbl_absmax_op
-                0x0000000000536b50                p4_int_mult_op
-                0x0000000000536900                p4_flt_min_op
-                0x0000000000536570                p4_dbl_max_op
-                0x00000000005368b0                p4_flt_max_op
- *fill*         0x0000000000536da8        0x8 90909090
- .text          0x0000000000536db0      0x948 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
-                0x0000000000537480                MPID_RecvComplete
-                0x0000000000536e40                MPID_IrecvContig
-                0x00000000005376f0                MPID_Status_set_bytes
-                0x0000000000537220                MPID_RecvIcomplete
-                0x0000000000536db0                MPID_RecvContig
- *fill*         0x00000000005376f8        0x8 90909090
- .text          0x0000000000537700      0x763 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
-                0x0000000000537b40                MPID_SendIcomplete
-                0x0000000000537700                MPID_SendContig
-                0x0000000000537c30                MPID_SendComplete
-                0x0000000000537a00                MPID_BsendContig
-                0x0000000000537870                MPID_IsendContig
- *fill*         0x0000000000537e63        0xd 90909090
- .text          0x0000000000537e70      0x479 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
-                0x0000000000538150                MPID_RecvCancel
-                0x0000000000537e70                MPID_SendCancel
- *fill*         0x00000000005382e9        0x7 90909090
- .text          0x00000000005382f0     0x1976 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
-                0x0000000000539ba0                MPID_CH_Eagerb_delete
-                0x00000000005382f0                MPID_CH_Eagerb_send
-                0x0000000000539bb0                MPID_CH_Eagerb_setup
-                0x0000000000539870                MPID_CH_Eagerb_cancel_send
-                0x0000000000538960                MPID_CH_Eagerb_recv
-                0x0000000000539880                MPID_CH_Eagerb_irecv
-                0x00000000005391d0                MPID_CH_Eagerb_isend
-                0x0000000000538ea0                MPID_CH_Eagerb_save
-                0x0000000000538c60                MPID_CH_Eagerb_unxrecv_start
- *fill*         0x0000000000539c66        0xa 90909090
- .text          0x0000000000539c70     0x25a0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
-                0x000000000053bd80                MPID_CH_Rndvb_save_self
-                0x0000000000539c70                MPID_CH_Rndvb_isend
-                0x000000000053b8c0                MPID_CH_Rndvb_ack
-                0x000000000053a1f0                MPID_CH_Rndvb_send
-                0x000000000053a2f0                MPID_CH_Rndvb_irecv
-                0x000000000053ac80                MPID_CH_Rndvb_ok_to_send
-                0x000000000053c150                MPID_CH_Rndvb_delete
-                0x000000000053aa70                MPID_CH_Rndvb_save
-                0x000000000053b5d0                MPID_CH_Rndvb_unxrecv_test_end
-                0x000000000053c160                MPID_CH_Rndvb_setup
-                0x000000000053bea0                MPID_CH_Rndvb_unxrecv_start_self
-                0x000000000053aea0                MPID_CH_Rndvb_unxrecv_start
-                0x000000000053b1b0                MPID_CH_Rndvb_unxrecv_end
- .text          0x000000000053c210      0xf63 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
-                0x000000000053c210                MPID_CH_Check_incoming
- *fill*         0x000000000053d173        0xd 90909090
- .text          0x000000000053d180     0x18ca /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
-                0x000000000053e9a0                MPID_CH_Short_setup
-                0x000000000053e4b0                MPID_CH_Eagerb_unxrecv_start_short
-                0x000000000053d9c0                MPID_CH_Eagerb_isend_short
-                0x000000000053e6f0                MPID_CH_Eagerb_save_short
-                0x000000000053e220                MPID_CH_Eagerb_recv_short
-                0x000000000053d180                MPID_CH_Eagerb_send_short
-                0x000000000053e990                MPID_CH_Eagerb_short_delete
- *fill*         0x000000000053ea4a        0x6 90909090
- .text          0x000000000053ea50      0x4be /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
-                0x000000000053ea70                MPID_SendFlowPacket
-                0x000000000053edd0                MPID_FlowDelete
-                0x000000000053ec30                MPID_RecvFlowPacket
-                0x000000000053edf0                MPID_FlowDump
-                0x000000000053ea50                MPID_FlowDebug
-                0x000000000053ecd0                MPID_FlowSetup
- *fill*         0x000000000053ef0e        0x2 90909090
- .text          0x000000000053ef10      0x61e /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
-                0x000000000053ef10                PMPI_Type_hindexed
-                0x000000000053ef10                MPI_Type_hindexed
- *fill*         0x000000000053f52e        0x2 90909090
- .text          0x000000000053f530      0x48c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)
-                0x000000000053f530                MPIR_Pack_Hvector
-                0x000000000053f9b0                MPIR_HvectorLen
-                0x000000000053f770                MPIR_UnPack_Hvector
- .text          0x000000000053f9bc      0x2f4 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o)
-                0x000000000053fc2c                __hpfio_cleanup
-                0x000000000053fc05                pgcrf90io_close
-                0x000000000053fb87                pgf90io_close
-                0x000000000053faa3                __hpfio_close
- .text          0x000000000053fcb0       0xc0 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o)
-                0x000000000053fd10                pghpfio_usw_read
-                0x000000000053fce0                pghpfio_ldr
-                0x000000000053fd28                pghpfio_usw_write
-                0x000000000053fcc8                pghpfio_fmt_write
-                0x000000000053fcb0                pghpfio_fmt_read
-                0x000000000053fcf8                pghpfio_ldw
-                0x000000000053fd58                pghpfio_unf_write
-                0x000000000053fd40                pghpfio_unf_read
- .text          0x000000000053fd70      0xace /usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o)
-                0x000000000054081b                pgcrf90io_encode_fmtv
-                0x00000000005407f3                pgf90io_encode_fmtv
-                0x00000000005407cc                pgcrf90io_encode_fmt
-                0x00000000005407a0                pgf90io_encode_fmt
- *fill*         0x000000000054083e        0x2 90909090
- .text          0x0000000000540840      0x9ba /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o)
-                0x0000000000540aff                __hpfio_errmsg
-                0x0000000000540cb7                __hpfio_eorerr
-                0x0000000000540f05                pgf90io_src_info
-                0x0000000000540f1b                pgcrf90io_src_info
-                0x00000000005408e0                __hpfio_error
-                0x0000000000540840                __hpfio_errinit
-                0x00000000005411c5                __hpfio_check_format
-                0x0000000000540b90                __hpfio_eoferr
- *fill*         0x00000000005411fa        0x2 90909090
- .text          0x00000000005411fc     0x2759 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o)
-                0x0000000000541a85                pgf90io_fmt_read_a
-                0x000000000054170c                pgcrf90io_fmtr_intern_init
-                0x0000000000541adb                pgcrf90io_fmt_read
-                0x0000000000541794                pgcrf90io_fmtr_intern_initv
-                0x000000000054139d                pgf90io_fmtr_init
-                0x000000000054181f                pgcrf90io_fmtr_intern_inite
-                0x00000000005418c5                __f90io_fmt_read
-                0x00000000005417a5                pgf90io_fmtr_intern_inite
-                0x0000000000543947                pgcrf90io_fmtr_end
-                0x0000000000541833                pgf90io_fmtr_intern_initev
-                0x0000000000541443                pgcrf90io_fmtr_init
-                0x0000000000543939                pgf90io_fmtr_end
-                0x000000000054147a                pgf90io_fmtr_initv
-                0x0000000000541ab1                pgf90io_fmt_read64_a
-                0x0000000000541a59                pgf90io_fmt_read
-                0x000000000054171a                pgf90io_fmtr_intern_initv
-                0x00000000005418ae                pgcrf90io_fmtr_intern_initev
-                0x0000000000541693                pgf90io_fmtr_intern_init
-                0x0000000000541520                pgcrf90io_fmtr_initv
- *fill*         0x0000000000543955        0x3 90909090
- .text          0x0000000000543958     0x2390 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtwrite.o)
-                0x0000000000543bb7                pgcrf90io_fmtw_init
-                0x0000000000543b14                pgf90io_fmtw_init
-                0x0000000000543edd                pgf90io_fmtw_intern_inite
-                0x000000000054419c                pgcrf90io_fmt_write
-                0x0000000000543e31                pgf90io_fmtw_intern_initv
-                0x0000000000543ebb                pgcrf90io_fmtw_intern_initv
-                0x0000000000544177                pgf90io_fmt_write64_a
-                0x0000000000544152                pgf90io_fmt_write_a
-                0x0000000000545ccc                pgf90io_fmtw_end
-                0x0000000000543c8f                pgcrf90io_fmtw_initv
-                0x0000000000543f92                pgf90io_fmtw_intern_initev
-                0x0000000000543e12                pgcrf90io_fmtw_intern_init
-                0x0000000000543bec                pgf90io_fmtw_initv
-                0x000000000054412d                pgf90io_fmt_write
-                0x0000000000543d88                pgf90io_fmtw_intern_init
-                0x0000000000545cda                pgcrf90io_fmtw_end
-                0x0000000000543f6a                pgcrf90io_fmtw_intern_inite
-                0x000000000054401f                pgcrf90io_fmtw_intern_initev
-                0x000000000054404a                __f90io_fmt_write
- .text          0x0000000000545ce8      0x24a /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o)
-                0x0000000000545f11                pgcrf90_pause
-                0x0000000000545df8                pgcrf90_stop
-                0x0000000000545dd7                pgf90_stop
-                0x0000000000545d16                pgcrf90_exit
-                0x0000000000545ce8                pgf90_exit
-                0x0000000000545ee6                pgf90_pause
- *fill*         0x0000000000545f32        0x2 90909090
- .text          0x0000000000545f34     0x1008 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o)
-                0x0000000000546f2e                pgcrf90io_ldr_end
-                0x000000000054636b                pgcrf90io_ldr
-                0x0000000000546126                pgf90io_ldr_intern_inite
-                0x0000000000546030                pgcrf90io_ldr_init
-                0x0000000000546315                pgf90io_ldr_a
-                0x00000000005460b1                pgf90io_ldr_intern_init
-                0x000000000054618e                pgcrf90io_ldr_intern_inite
-                0x000000000054603e                f90io_ldr_intern_init
-                0x0000000000546f20                pgf90io_ldr_end
-                0x0000000000545fd7                pgf90io_ldr_init
-                0x0000000000546341                pgf90io_ldr64_a
-                0x0000000000546118                pgcrf90io_ldr_intern_init
-                0x00000000005462e9                pgf90io_ldr
-                0x00000000005461d5                __f90io_ldr
- .text          0x0000000000546f3c      0x918 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o)
-                0x000000000054747f                pgcrf90io_ldw
-                0x0000000000547127                pgf90io_ldw_intern_init
-                0x0000000000547262                __f90io_ldw
-                0x0000000000547841                pgcrf90io_ldw_end
-                0x000000000054745a                pgf90io_ldw64_a
-                0x0000000000547410                pgf90io_ldw
-                0x000000000054723a                pgcrf90io_ldw_intern_inite
-                0x00000000005471be                pgf90io_ldw_intern_inite
-                0x0000000000547079                pgcrf90io_ldw_init
-                0x0000000000547016                pgf90io_ldw_init
-                0x000000000054782e                pgf90io_ldw_end
-                0x0000000000547435                pgf90io_ldw_a
-                0x000000000054719f                pgcrf90io_ldw_intern_init
- .text          0x0000000000547854      0xfe8 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o)
-                0x0000000000547854                __hpfio_open
-                0x000000000054855b                pgf90io_open_cvt
-                0x0000000000548367                pgf90io_open
-                0x0000000000548616                pgcrf90io_open
-                0x0000000000548786                pgcrf90io_open_cvt
- .text          0x000000000054883c       0xfd /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rewind.o)
-                0x000000000054892b                pgcrf90io_rewind
-                0x00000000005488e4                pgf90io_rewind
- *fill*         0x0000000000548939        0x3 90909090
- .text          0x000000000054893c     0x1b8f /usr/pgi/linux86-64/6.0/lib/libpgf90.a(unf.o)
-                0x0000000000548e44                pgf90io_unf_read_a
-                0x0000000000548ed8                __f90io_unf_write
-                0x0000000000548bc5                __f90io_unf_read
-                0x0000000000548e6e                pgf90io_unf_read64_a
-                0x0000000000549350                pgf90io_byte_write64
-                0x00000000005498d4                __f90io_usw_read
-                0x0000000000549304                pgf90io_unf_write64_a
-                0x000000000054a074                pgf90io_usw_write
-                0x00000000005492da                pgf90io_unf_write_a
-                0x0000000000549c06                __f90io_usw_write
-                0x0000000000549bb2                pgf90io_usw_read_a
-                0x0000000000548eba                pgf90io_byte_read64
-                0x000000000054936e                __f90io_unf_end
-                0x0000000000548e98                pgf90io_byte_read
-                0x000000000054a4bd                pgf90io_usw_end
-                0x0000000000548b5e                pgf90io_unf_init
-                0x00000000005497c0                __f90io_usw_init
-                0x000000000054986d                pgf90io_usw_init
-                0x00000000005497b2                pgf90io_unf_end
-                0x00000000005492b0                pgf90io_unf_write
-                0x000000000054932e                pgf90io_byte_write
-                0x0000000000548e1a                pgf90io_unf_read
-                0x000000000054a09e                pgf90io_usw_write_a
-                0x0000000000549bdc                pgf90io_usw_read64_a
-                0x0000000000548983                __f90io_unf_init
-                0x0000000000549b88                pgf90io_usw_read
-                0x000000000054a0c8                pgf90io_usw_write64_a
-                0x000000000054a0f2                __f90io_usw_end
- *fill*         0x000000000054a4cb        0x1 90909090
- .text          0x000000000054a4cc      0x682 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utils.o)
-                0x000000000054a910                __hpfio_zeropad
-                0x000000000054a4cc                __hpfio_alloc_fcb
-                0x000000000054a985                __hpfio_eq_str
-                0x000000000054a586                __hpfio_rwinit
-                0x000000000054a8f1                __hpfio_find_unit
-                0x000000000054a540                __hpfio_free_fcb
-                0x000000000054a9ee                __hpfio_swap_bytes
- *fill*         0x000000000054ab4e        0x2 90909090
- .text          0x000000000054ab50      0xb21 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o)
-                0x000000000054ab50                __hpf_atoxi32
-                0x000000000054ad6b                __hpf_atoxi64
-                0x000000000054adaa                __hpf_i64toax
- *fill*         0x000000000054b671        0x3 90909090
- .text          0x000000000054b674      0x97f /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o)
-                0x000000000054bd31                pgf90_ptr_calloc
-                0x000000000054b774                pghpf_ptr_offset
-                0x000000000054b7a8                __hpf_alloc
-                0x000000000054ba90                ftn_allocate
-                0x000000000054bdb0                __hpf_dealloc
-                0x000000000054bd88                __hpf_local_allocate
-                0x000000000054bcd3                pgf90_calloc
-                0x000000000054b6be                __hpf_ptr_offset
-                0x000000000054bfc3                __hpf_deallocate
-                0x000000000054bb0d                pgf90_alloc
-                0x000000000054becd                ftn_dealloc
-                0x000000000054bfa7                pgf90_deallocx
-                0x000000000054ba31                ftn_allocated
-                0x000000000054bfdb                __hpf_local_deallocate
-                0x000000000054ba6f                pgf90_kallocated
-                0x000000000054bee0                pgf90_dealloc
-                0x000000000054bd60                __hpf_allocate
-                0x000000000054b674                __hpf_ptr_aligned
-                0x000000000054b9c7                __hpf_allocated
-                0x000000000054ba50                pgf90_allocated
-                0x000000000054bb0c                __f90_allo_term
-                0x000000000054beba                ftn_deallocate
-                0x000000000054bd02                pgf90_ptr_alloc
-                0x000000000054bad0                ftn_alloc
- *fill*         0x000000000054bff3        0x1 90909090
- .text          0x000000000054bff4      0x9ad /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o)
-                0x000000000054c8aa                __hpf_entry_asend_done
-                0x000000000054c5f2                __hpf_entry_recv
-                0x000000000054c24c                pghpf_line_entry
-                0x000000000054c6e0                __hpf_entry_send_done
-                0x000000000054bff4                __hpf_entry_init
-                0x000000000054c5ad                pghpf_tracecall
-                0x000000000054c970                __hpf_entry_term
-                0x000000000054c68a                __hpf_entry_send
-                0x000000000054c099                pghpf_function_entry
-                0x000000000054c8ec                __hpf_entry_await
-                0x000000000054c92e                __hpf_entry_await_done
-                0x000000000054c276                __hpf_traceback
-                0x000000000054c3fa                __hpf_tracecall
-                0x000000000054c722                __hpf_entry_copy
-                0x000000000054c207                pghpf_function_exit
-                0x000000000054c801                __hpf_entry_arecv_done
-                0x000000000054c3e7                pghpf_traceback
-                0x000000000054c79a                __hpf_entry_arecv
-                0x000000000054c758                __hpf_entry_copy_done
-                0x000000000054c648                __hpf_entry_recv_done
-                0x000000000054c843                __hpf_entry_asend
- *fill*         0x000000000054c9a1        0x3 90909090
- .text          0x000000000054c9a4      0x1d0 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio.o)
-                0x000000000054cacb                __hpfio_stat_bcst
-                0x000000000054cabb                __hpfio_stat_init
-                0x000000000054c9a4                __hpfio_loop
-                0x000000000054ca11                __hpf_status_init
-                0x000000000054ca21                __hpf_status_bcst
- .text          0x000000000054cb74      0x227 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o)
-                0x000000000054cc6b                __hpfio_main
- *fill*         0x000000000054cd9b        0x1 90909090
- .text          0x000000000054cd9c      0xeed /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-                0x000000000054cda3                __hpf_ncpus
-                0x000000000054d055                __hpf_getopt
-                0x000000000054cd9c                __hpf_myprocnum
-                0x000000000054ce33                __hpf_abortp
-                0x000000000054cdb1                __hpf_is_ioproc
-                0x000000000054d86e                __hpf_passargs
-                0x000000000054db22                pghpf_init
-                0x000000000054cdaa                __hpf_getioproc
-                0x000000000054cdc4                __hpf_abort
-                0x000000000054d2a4                __hpf_getoptb
-                0x000000000054dc62                pgf90_compiled
-                0x000000000054ce68                __hpf_exit
-                0x000000000054dc01                __hpf_pull_them_in
-                0x000000000054d734                __hpf_procargs
-                0x000000000054d22c                __hpf_getoptn
-                0x000000000054cf21                __hpf_getenv
- *fill*         0x000000000054dc89        0x3 90909090
- .text          0x000000000054dc8c      0x788 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o)
-                0x000000000054dc8c                __hpf_malloc_without_abort
-                0x000000000054dd9c                __hpf_calloc_without_abort
-                0x000000000054de25                __hpf_free
-                0x000000000054e396                __hpf_gmalloc
-                0x000000000054e406                __hpf_gfree
-                0x000000000054e3f8                __hpf_gcalloc
-                0x000000000054dd01                __hpf_realloc
-                0x000000000054ddeb                __hpf_calloc
-                0x000000000054dce4                __hpf_malloc
-                0x000000000054e32d                __hpf_gmalloc_without_abort
-                0x000000000054e3e0                __hpf_gcalloc_without_abort
-                0x000000000054e3d2                __hpf_grealloc
- .text          0x000000000054e414      0xe58 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o)
-                0x000000000054e463                pghpf_nullify
-                0x000000000054e4e0                pghpf_nullify_char
-                0x000000000054f113                pghpf_associated
-                0x000000000054f233                pgf90_ptrchk
-                0x000000000054ea02                pghpf_ptr_assign
-                0x000000000054ee67                pghpf_ptr_in_char
-                0x000000000054eee6                pghpf_ptr_out
-                0x000000000054f151                pghpf_associated_char
-                0x000000000054f013                __hpf_associated
-                0x000000000054ef95                pghpf_ptr_out_char
-                0x000000000054f261                pgf90_ptrcp
-                0x000000000054f17f                pgf90_subchk
-                0x000000000054eca0                pghpf_ptr_assign_charx
-                0x000000000054ee4a                pghpf_ptr_in
-                0x000000000054f1d7                pgf90_subchk64
-                0x000000000054e54e                pghpf_nullifyx
-                0x000000000054eaf3                pghpf_ptr_assign_char
-                0x000000000054e700                pghpf_ptr_asgn
-                0x000000000054e7e1                pghpf_ptr_asgn_char
-                0x000000000054ebb6                pghpf_ptr_assignx
- .text          0x000000000054f26c     0x30de /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o)
-                0x00000000005505ff                pghpf_template
-                0x0000000000550fcf                pgf90_template3
-                0x0000000000550391                __hpf_copy_out
-                0x0000000000551bb8                pgf90_copy_f77_argsl
-                0x000000000055184c                pgf90_copy_f77_argw
-                0x000000000054f5e8                pghpf_qopy_in
-                0x00000000005515e3                pghpf_freen
-                0x00000000005512ff                pgf90_template3v
-                0x0000000000551575                pghpf_free
-                0x000000000055145d                pghpf_instance
-                0x00000000005511f6                pgf90_template2v
-                0x0000000000551142                pgf90_template1v
-                0x000000000054f26c                __hpf_stored_alike
-                0x0000000000551dd6                pgf90_copy_f90_arg
-                0x0000000000550eb7                pgf90_template2
-                0x0000000000552086                pgf90_copy_f90_argl
-                0x000000000054f55d                is_nonsequential_section
-                0x000000000055057c                pghpf_check_block_size
-                0x0000000000550dfa                pgf90_template1
-                0x0000000000550556                pghpf_copy_out
-                0x00000000005516a9                pgf90_copy_f77_arg
-                0x0000000000550c2d                pgf90_template
-                0x00000000005519fb                pgf90_copy_f77_argl
- *fill*         0x000000000055234a        0x2 90909090
- .text          0x000000000055234c      0x1ff /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o)
-                0x0000000000552416                __hpf_rrecv
-                0x0000000000552532                __hpf_rbcst
-                0x000000000055234c                __hpf_rrecvl
-                0x0000000000552448                __hpf_rbcstl
-                0x000000000055242f                __hpf_rsend
-                0x00000000005523b1                __hpf_rsendl
- *fill*         0x000000000055254b        0x1 90909090
- .text          0x000000000055254c       0x64 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(version.o)
-                0x000000000055254c                __hpf_print_version
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- .note          0x00000000000005a0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_util.o)
- .note          0x00000000000005b4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o)
- .note          0x00000000000005c8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rank.o)
- .note          0x00000000000005dc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_name_put.o)
- .note          0x00000000000005f0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_size.o)
- .note          0x0000000000000604       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o)
- .note          0x0000000000000618       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o)
- .note          0x000000000000062c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fn.o)
- .note          0x0000000000000640       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(barrier.o)
- .note          0x0000000000000654       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcast.o)
- .note          0x0000000000000668       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gatherv.o)
- .note          0x000000000000067c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgather.o)
- .note          0x0000000000000690       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allreduce.o)
- .note          0x00000000000006a4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
- .note          0x00000000000006b8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(opfree.o)
- .note          0x00000000000006cc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(oputil.o)
- .note          0x00000000000006e0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(inter_fns.o)
- .note          0x00000000000006f4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o)
- .note          0x0000000000000708       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o)
- .note          0x000000000000071c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o)
- .note          0x0000000000000730       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(statusc2f.o)
- .note          0x0000000000000744       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o)
- .note          0x0000000000000758       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o)
- .note          0x000000000000076c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_rm.o)
- .note          0x0000000000000780       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_util.o)
- .note          0x0000000000000794       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o)
- .note          0x00000000000007a8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_conn.o)
- .note          0x00000000000007bc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_sr.o)
- .note          0x00000000000007d0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_list.o)
- .note          0x00000000000007e4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
- .note          0x00000000000007f8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(usc.o)
- .note          0x000000000000080c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
- .note          0x0000000000000820       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o)
- .note          0x0000000000000834       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o)
- .note          0x0000000000000848       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o)
- .note          0x000000000000085c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2mpack.o)
- .note          0x0000000000000870       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bswap2.o)
- .note          0x0000000000000884       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
- .note          0x0000000000000898       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
- .note          0x00000000000008ac       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
- .note          0x00000000000008c0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
- .note          0x00000000000008d4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
- .note          0x00000000000008e8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
- .note          0x00000000000008fc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
- .note          0x0000000000000910       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
- .note          0x0000000000000924       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
- .note          0x0000000000000938       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
- .note          0x000000000000094c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
- .note          0x0000000000000960       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
- .note          0x0000000000000974       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
- .note          0x0000000000000988       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
- .note          0x000000000000099c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
- .note          0x00000000000009b0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
- .note          0x00000000000009c4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
- .note          0x00000000000009d8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
- .note          0x00000000000009ec       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
- .note          0x0000000000000a00       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
- .note          0x0000000000000a14       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
- .note          0x0000000000000a28       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
- .note          0x0000000000000a3c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
- .note          0x0000000000000a50       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
- .note          0x0000000000000a64       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
- .note          0x0000000000000a78       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
- .note          0x0000000000000a8c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
- .note          0x0000000000000aa0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
- .note          0x0000000000000ab4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
- .note          0x0000000000000ac8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
- .note          0x0000000000000adc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
- .note          0x0000000000000af0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
- .note          0x0000000000000b04       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
- .note          0x0000000000000b18       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
- .note          0x0000000000000b2c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
- .note          0x0000000000000b40       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
- .note          0x0000000000000b54       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
- .note          0x0000000000000b68       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
- .note          0x0000000000000b7c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
- .note          0x0000000000000b90       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
- .note          0x0000000000000ba4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
- .note          0x0000000000000bb8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
- .note          0x0000000000000bcc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
- .note          0x0000000000000be0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
- .note          0x0000000000000bf4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
- .note          0x0000000000000c08       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
- .note          0x0000000000000c1c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
- .note          0x0000000000000c30       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
- .note          0x0000000000000c44       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
- .note          0x0000000000000c58       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
- .note          0x0000000000000c6c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
- .note          0x0000000000000c80       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
- .note          0x0000000000000c94       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
- .note          0x0000000000000ca8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
- .note          0x0000000000000cbc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
- .note          0x0000000000000cd0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)

diff --git a/source/cluster/wham/src/CMakeLists.txt b/source/cluster/wham/src/CMakeLists.txt
new file mode 100644 (file)
index 0000000..ec0b67e
--- /dev/null
+++ b/source/cluster/wham/src/CMakeLists.txt
@@ -0,0 +1,235 @@
+#
+# CMake project file for cluster analysis from WHAM for single-chain proteins  
+# 
+
+enable_language (Fortran)
+
+#================================
+# Set source file lists
+#================================
+set(UNRES_CLUSTER_WHAM_SRC0 
+       arcos.f
+       cartprint.f
+       chainbuild.f
+       contact.f
+       convert.f
+       energy_p_new.F
+       fitsq.f
+       geomout.F
+       hc.f
+       icant.f
+       initialize_p.F
+       intcor.f
+       int_from_cart1.f
+       main_clust.F
+       matmult.f
+       misc.f
+       noyes.f
+       parmread.F
+       pinorm.f
+       probabl.F
+       read_coords.F
+       readpdb.f
+       readrtns.F
+       rescode.f
+       setup_var.f
+       srtclust.f
+       timing.F
+       track.F
+       wrtclust.f
+       work_partition.F
+)
+
+set(UNRES_CLUSTER_WHAM_PP_SRC
+       energy_p_new.F
+       initialize_p.F
+       geomout.F
+       main_clust.F
+       parmread.F
+       probabl.F
+       read_coords.F
+       readrtns.F
+       timing.F
+       track.F
+       work_partition.F
+       proc_proc.c
+) 
+
+
+#================================================
+# Set comipiler flags for different sourcefiles  
+#================================================
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres " ) 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  set(FFLAGS0 "-I. -I${CMAKE_CURRENT_SOURCE_DIR}/inlude_unres " ) 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+# Add MPI compiler flags
+if(UNRES_WITH_MPI)
+  set(FFLAGS0 "${FFLAGS0} -I${MPIF_INCLUDE_DIRECTORIES}")
+endif(UNRES_WITH_MPI)
+
+set_property(SOURCE ${UNRES_CLUSTER_WHAM_SRC0} PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+set(CPPFLAGS "PROCOR -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC" )
+
+if (Fortran_COMPILER_NAME STREQUAL "ifort")
+  # Add ifort preprocessor flags
+  set(CPPFLAGS "${CPPFLAGS} -DPGI") 
+elseif (Fortran_COMPILER_NAME STREQUAL "f95")
+  # Add new gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
+  # Add old gfortran flags
+  set(CPPFLAGS "${CPPFLAGS} -DG77") 
+endif (Fortran_COMPILER_NAME STREQUAL "ifort")
+
+
+#=========================================
+# System specific flags
+#=========================================
+if(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+  set(CPPFLAGS "${CPPFLAGS} -DLINUX") 
+endif(${CMAKE_SYSTEM_NAME} MATCHES "Linux")
+
+#=========================================
+# Add MPI preprocessor flags
+#=========================================
+if (UNRES_WITH_MPI)
+  set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
+endif(UNRES_WITH_MPI)
+
+
+#=========================================
+# Apply preprocesor flags to *.F files
+#=========================================
+set_property(SOURCE ${UNRES_CLUSTER_WHAM_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
+
+
+#========================================
+#  Setting binary name
+#========================================
+set(UNRES_CLUSTER_WHAM_BIN "unres_clustMD.exe")
+
+#=========================================
+# cinfo.f stupid workaround for cmake
+#  - shame on me ]:)
+#=========================================
+#set_property(SOURCE compinfo.c PROPERTY CMAKE_C_FLAGS "-c" )
+#add_executable(compinfo-wham-m compinfo.c)
+#set_target_properties(compinfo-wham-m PROPERTIES OUTPUT_NAME compinfo)
+
+#set(UNRES_CINFO_DIR "${CMAKE_CURRENT_BINARY_DIR}" )
+#add_custom_command(OUTPUT ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f 
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/cinfo.f ${CMAKE_CURRENT_BINARY_DIR}/cinfo.f
+#      COMMAND ${CMAKE_COMMAND} -E copy ${CMAKE_CURRENT_SOURCE_DIR}/COMMON.IOUNITS ${CMAKE_CURRENT_BINARY_DIR}/COMMON.IOUNITS 
+#      COMMAND ${CMAKE_CURRENT_BINARY_DIR}/compinfo | true     
+#      DEPENDS compinfo-wham-m )
+#set_property(SOURCE ${UNRES_CINFO_DIR}/cinfo.f PROPERTY COMPILE_FLAGS ${FFLAGS0} )
+
+#=========================================
+# Set full unres CLUSTER sources
+#=========================================
+set(UNRES_CLUSTER_WHAM_SRCS ${UNRES_CLUSTER_WHAM_SRC0} ${CMAKE_CURRENT_SOURCE_DIR}/proc_proc.c)
+
+#=========================================
+# Build the binary
+#=========================================
+add_executable(UNRES_CLUSTER_WHAM_BIN ${UNRES_CLUSTER_WHAM_SRCS} )
+set_target_properties(UNRES_CLUSTER_WHAM_BIN PROPERTIES OUTPUT_NAME ${UNRES_CLUSTER_WHAM_BIN})
+
+#=========================================
+# Link libraries
+#=========================================
+# link MPI library (libmpich.a)  
+if(UNRES_WITH_MPI)
+  target_link_libraries( UNRES_CLUSTER_WHAM_BIN ${MPIF_LIBRARIES} )
+endif(UNRES_WITH_MPI)
+# link libxdrf.a 
+target_link_libraries( UNRES_CLUSTER_WHAM_BIN xdrf )
+
+#=========================================
+# TESTS 
+#=========================================
+
+#-- Copy all the data files from the test directory into the source directory
+#SET(UNRES_TEST_FILES
+#      ala10.inp
+#    )
+
+#FOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+#      SET (unres_test_dest "${CMAKE_CURRENT_BINARY_DIR}/${UNRES_TEST_FILE}")
+#      MESSAGE (STATUS " Copying ${UNRES_TEST_FILE} from ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} to ${unres_test_dest}")
+#      ADD_CUSTOM_COMMAND (
+#          TARGET     ${UNRES_BIN}
+#          POST_BUILD
+#          COMMAND    ${CMAKE_COMMAND} -E copy ${CMAKE_SOURCE_DIR}/examples/unres/MD/ff_gab/${UNRES_TEST_FILE} ${unres_test_dest}
+#      )
+#ENDFOREACH (UNRES_TEST_FILE ${UNRES_TEST_FILES})
+
+#=========================================
+# Generate data test files
+#=========================================
+#  test_single_ala.sh
+#=========================================
+
+#FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh
+#"#!/bin/sh
+#export POT=GB
+#export PREFIX=ala10
+#-----------------------------------------------------------------------------
+#UNRES_BIN=./${UNRES_BIN}
+#-----------------------------------------------------------------------------
+#DD=${CMAKE_SOURCE_DIR}/PARAM
+#export BONDPAR=$DD/bond.parm
+#export THETPAR=$DD/thetaml.5parm
+#export ROTPAR=$DD/scgauss.parm
+#export TORPAR=$DD/torsion_631Gdp.parm
+#export TORDPAR=$DD/torsion_double_631Gdp.parm
+#export ELEPAR=$DD/electr_631Gdp.parm
+#export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+#export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3
+#export SCPPAR=$DD/scp.parm
+#export SCCORPAR=$DD/rotcorr_AM1.parm
+#export PATTERN=$DD/patterns.cart
+#-----------------------------------------------------------------------------
+#$UNRES_BIN
+#")
+
+#=========================================
+#  ala10.inp
+#=========================================
+
+#file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/ala10.inp
+#"ala10 unblocked
+#SEED=-1111333 MD ONE_LETTER rescale_mode=2 PDBOUT
+#nstep=15000 ntwe=100 ntwx=1000 dt=0.1 lang=0 tbf t_bath=300 damax=1.0          &
+#reset_moment=1000 reset_vel=1000 MDPDB
+#WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+#WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+#WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+#WVDWPP=0.11371 WHPB=1.00000                                                    &
+#CUTOFF=7.00000 WCORR4=0.00000
+#12
+#XAAAAAAAAAAX 
+# 0
+# 0
+#   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000 
+#   90.0000   90.0000
+#  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+#  180.0000
+#  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000 
+#  110.0000  110.0000
+# -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+# -120.0000 -120.0000
+#")
+
+
+# Add tests
+
+#if(NOT UNRES_WITH_MPI)
+
+#  add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
+
+#endif(NOT UNRES_WITH_MPI)

diff --git a/source/cluster/wham/src/DIMENSIONS.COMPAR b/source/cluster/wham/src/DIMENSIONS.COMPAR
new file mode 100644 (file)
index 0000000..911bd4e
--- /dev/null
+++ b/source/cluster/wham/src/DIMENSIONS.COMPAR
@@ -0,0 +1,25 @@
+******************************************************************
+*
+* Array dimensions for level-based conformation comparison program:
+*
+* Max. number of conformations in the data set.
+*
+      integer maxconf
+      PARAMETER (MAXCONF=maxstr_proc)
+*
+* Max. number levels of comparison
+*
+      integer maxlevel
+      PARAMETER (MAXLEVEL=3)
+*
+* Max. number of fragments at a given level of comparison
+*
+      integer maxfrag,mmaxfrag
+      PARAMETER (MAXFRAG=30,MMAXFRAG=MAXFRAG*(MAXFRAG+1)/2)
+*
+* Max. number of pieces forming a substructure to be compared
+*
+      integer maxpiece
+      PARAMETER (MAXPIECE=20)
+*
+*******************************************************************

diff --git a/source/cluster/wham/src/diff b/source/cluster/wham/src/diff
deleted file mode 100644 (file)
index 5c7ed52..0000000
--- a/source/cluster/wham/src/diff
+++ /dev/null
@@ -1,952 +0,0 @@
-4c4
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5a6
-> #ifndef ISNAN
-6a8
-> #endif
-83a86,89
-> C
-> C 21/5/07 Calculate local sicdechain correlation energy
-> C
->       call eback_sc_corr(esccor)
-99,125d104
-< C     call multibody(ecorr)
-< C 
-< C Sum the energies
-< C
-< C scale large componenets  
-< c#ifdef SCALE
-< c      ecorr5_scal=1000.0
-< c      eel_loc_scal=100.0
-< c      eello_turn3_scal=100.0
-< c      eello_turn4_scal=100.0
-< c      eturn6_scal=1000.0
-< c      ecorr6_scal=1000.0
-< c#else
-< c      ecorr5_scal=1.0
-< c      eel_loc_scal=1.0
-< c      eello_turn3_scal=1.0
-< c      eello_turn4_scal=1.0
-< c      eturn6_scal=1.0
-< c      ecorr6_scal=1.0
-< c#endif
-< c
-< c      ecorr5=ecorr5/ecorr5_scal
-< c      eel_loc=eel_loc/eel_loc_scal
-< c      eello_turn3=eello_turn3/eello_turn3_scal
-< c      eello_turn4=eello_turn4/eello_turn4_scal
-< c      eturn6=eturn6/eturn6_scal
-< c      ecorr6=ecorr6/ecorr6_scal
-133c112
-<      & +wbond*estr
----
->      & +wbond*estr+wsccor*fact(1)*esccor
-141c120
-<      & +wbond*estr
----
->      & +wbond*estr+wsccor*fact(1)*esccor
-172c151,152
-<       energia(19)=edihcnstr
----
->       energia(19)=esccor
->       energia(20)=edihcnstr
-173a154,160
-> #ifdef ISNAN
-> #ifdef AIX
->       if (isnan(etot).ne.0) energia(0)=1.0d+99
-> #else
->       if (isnan(etot)) energia(0)=1.0d+99
-> #endif
-> #else
-180a168
-> #endif
-201c189,190
-<      &                wturn6*fact(5)*gcorr6_turn(j,i)
----
->      &                wturn6*fact(5)*gcorr6_turn(j,i)+
->      &                wsccor*fact(2)*gsccorc(j,i)
-204c193,194
-<      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)
----
->      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)+
->      &                  wsccor*fact(2)*gsccorx(j,i)
-218c208,209
-<      &                wturn6*fact(5)*gcorr6_turn(j,i)
----
->      &                wturn6*fact(5)*gcorr6_turn(j,i)+
->      &                wsccor*fact(2)*gsccorc(j,i)
-221c212,213
-<      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)
----
->      &                  wstrain*ghpbx(j,i)+wcorr*gradxorr(j,i)+
->      &                  wsccor*fact(1)*gsccorx(j,i)
-224,225d215
-< cd      print '(i3,9(1pe12.4))',i,(gvdwc(k,i),k=1,3),(gelc(k,i),k=1,3),
-< cd   &        (gradc(k,i),k=1,3)
-230d219
-< cd        write (iout,*) i,g_corr5_loc(i)
-237a227
->      &   +wsccor*fact(1)*gsccor_loc(i)
-240,244d229
-< cd    print*,evdw,wsc,evdw2,wscp,ees+evdw1,welec,ebe,wang,
-< cd   &  escloc,wscloc,etors,wtor,ehpb,wstrain,nss,ebr,etot
-< cd    call enerprint(energia(0),fact)
-< cd    call intout
-< cd    stop
-251c236
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-279c264,265
-<       edihcnstr=energia(19)
----
->       esccor=energia(19)
->       edihcnstr=energia(20)
-289c275
-<      &  edihcnstr,ebr*nss,etot
----
->      &  esccor,wsccor*fact(1),edihcnstr,ebr*nss,etot
-308a295
->      & 'ESCCOR=',1pE16.6,' WEIGHT=',1pD16.6,' (backbone-rotamer corr)'/
-318c305,306
-<      &  eello_turn6,wturn6*fact(5),edihcnstr,ebr*nss,etot
----
->      &  eello_turn6,wturn6*fact(5),esccor*fact(1),wsccor,
->      &  edihcnstr,ebr*nss,etot
-336a325
->      & 'ESCCOR=',1pE16.6,' WEIGHT=',1pD16.6,' (backbone-rotamer corr)'/
-351c340
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-360a350
->       include 'COMMON.ENEPS'
-368a359,363
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-398a394,395
->             eneps_temp(1,ij)=eneps_temp(1,ij)+e1/dabs(eps0ij)
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2/eps0ij
-512c509
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-519a517
->       include 'COMMON.ENEPS'
-526a525,529
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-553a557,559
->             eneps_temp(1,ij)=eneps_temp(1,ij)+(e1+a_augm)
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2/eps(itypi,itypj)
-601c607
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-609a616
->       include 'COMMON.ENEPS'
-616a624,628
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-688a701,703
->             eneps_temp(1,ij)=eneps_temp(1,ij)+e1*aux
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+e2*aux/eps(itypi,itypj)
-728c743
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-736a752
->       include 'COMMON.ENEPS'
-742a759,763
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-819a841,843
->             eneps_temp(1,ij)=eneps_temp(1,ij)+aux*e1
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+aux*e2/eps(itypi,itypj)
-859c883
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-867a892
->       include 'COMMON.ENEPS'
-873a899,903
->       do i=1,210
->         do j=1,2
->           eneps_temp(j,i)=0.0d0
->         enddo
->       enddo
-952a983,987
->             eneps_temp(1,ij)=eneps_temp(1,ij)+aux*(e1+e_augm)
->      &        /dabs(eps(itypi,itypj))
->             eneps_temp(2,ij)=eneps_temp(2,ij)+aux*e2/eps(itypi,itypj)
-> c            eneps_temp(ij)=eneps_temp(ij)
-> c     &         +(evdwij+e_augm)/eps(itypi,itypj)
-1035c1070
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1073c1108
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1232c1267
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1415c1450
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1500c1535
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-1683c1718
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2432c2467
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2699c2734
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2810c2845
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2887c2922
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2968c3003
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-2978a3014
->       double precision u(3),ud(3)
-2988,2989c3024,3027
-<       estr=AKP*estr
-< c      write (iout,*) "estr",estr
----
->       estr=0.5d0*AKP*estr
-> c
-> c 09/18/07 AL: multimodal bond potential based on AM1 CA-SC PMF's included
-> c
-2993,2999c3031,3070
-<           diff=vbld(i+nres)-vbldsc0(iti)
-< c          write (iout,*) i,iti,vbld(i+nres),vbldsc0(iti),diff,
-< c     &      AKSC(iti)*diff*diff
-<           estr=estr+AKSC(iti)*diff*diff
-<           do j=1,3
-<             gradbx(j,i)=AKSC(iti)*diff*dc(j,i+nres)/vbld(i+nres)
-<           enddo
----
->           nbi=nbondterm(iti)
->           if (nbi.eq.1) then
->             diff=vbld(i+nres)-vbldsc0(1,iti)
-> c            write (iout,*) i,iti,vbld(i+nres),vbldsc0(1,iti),diff,
-> c     &      AKSC(1,iti),AKSC(1,iti)*diff*diff
->             estr=estr+0.5d0*AKSC(1,iti)*diff*diff
->             do j=1,3
->               gradbx(j,i)=AKSC(1,iti)*diff*dc(j,i+nres)/vbld(i+nres)
->             enddo
->           else
->             do j=1,nbi
->               diff=vbld(i+nres)-vbldsc0(j,iti)
->               ud(j)=aksc(j,iti)*diff
->               u(j)=abond0(j,iti)+0.5d0*ud(j)*diff
->             enddo
->             uprod=u(1)
->             do j=2,nbi
->               uprod=uprod*u(j)
->             enddo
->             usum=0.0d0
->             usumsqder=0.0d0
->             do j=1,nbi
->               uprod1=1.0d0
->               uprod2=1.0d0
->               do k=1,nbi
->                 if (k.ne.j) then
->                   uprod1=uprod1*u(k)
->                   uprod2=uprod2*u(k)*u(k)
->                 endif
->               enddo
->               usum=usum+uprod1
->               usumsqder=usumsqder+ud(j)*uprod2
->             enddo
-> c            write (iout,*) i,iti,vbld(i+nres),(vbldsc0(j,iti),
-> c     &      AKSC(j,iti),abond0(j,iti),u(j),j=1,nbi)
->             estr=estr+uprod/usum
->             do j=1,3
->              gradbx(j,i)=usumsqder/(usum*usum)*dc(j,i+nres)/vbld(i+nres)
->             enddo
->           endif
-3002,3003d3072
-< c      write (iout,*) "estr",estr
-<       estr=0.5d0*estr
-3005a3075
-> #ifdef CRYST_THETA
-3014c3084
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3244a3315,3509
-> #else
-> C--------------------------------------------------------------------------
->       subroutine ebend(etheta)
-> C
-> C Evaluate the virtual-bond-angle energy given the virtual-bond dihedral
-> C angles gamma and its derivatives in consecutive thetas and gammas.
-> C ab initio-derived potentials from 
-> c Kozlowska et al., J. Phys.: Condens. Matter 19 (2007) 285203
-> C
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.LOCAL'
->       include 'COMMON.GEO'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.VAR'
->       include 'COMMON.CHAIN'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.NAMES'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       double precision coskt(mmaxtheterm),sinkt(mmaxtheterm),
->      & cosph1(maxsingle),sinph1(maxsingle),cosph2(maxsingle),
->      & sinph2(maxsingle),cosph1ph2(maxdouble,maxdouble),
->      & sinph1ph2(maxdouble,maxdouble)
->       logical lprn /.false./, lprn1 /.false./
->       etheta=0.0D0
-> c      write (iout,*) "ithetyp",(ithetyp(i),i=1,ntyp1)
->       do i=ithet_start,ithet_end
->         dethetai=0.0d0
->         dephii=0.0d0
->         dephii1=0.0d0
->         theti2=0.5d0*theta(i)
->         ityp2=ithetyp(itype(i-1))
->         do k=1,nntheterm
->           coskt(k)=dcos(k*theti2)
->           sinkt(k)=dsin(k*theti2)
->         enddo
->         if (i.gt.3) then
-> #ifdef OSF
->           phii=phi(i)
->           if (phii.ne.phii) phii=150.0
-> #else
->           phii=phi(i)
-> #endif
->           ityp1=ithetyp(itype(i-2))
->           do k=1,nsingle
->             cosph1(k)=dcos(k*phii)
->             sinph1(k)=dsin(k*phii)
->           enddo
->         else
->           phii=0.0d0
->           ityp1=nthetyp+1
->           do k=1,nsingle
->             cosph1(k)=0.0d0
->             sinph1(k)=0.0d0
->           enddo 
->         endif
->         if (i.lt.nres) then
-> #ifdef OSF
->           phii1=phi(i+1)
->           if (phii1.ne.phii1) phii1=150.0
->           phii1=pinorm(phii1)
-> #else
->           phii1=phi(i+1)
-> #endif
->           ityp3=ithetyp(itype(i))
->           do k=1,nsingle
->             cosph2(k)=dcos(k*phii1)
->             sinph2(k)=dsin(k*phii1)
->           enddo
->         else
->           phii1=0.0d0
->           ityp3=nthetyp+1
->           do k=1,nsingle
->             cosph2(k)=0.0d0
->             sinph2(k)=0.0d0
->           enddo
->         endif  
-> c        write (iout,*) "i",i," ityp1",itype(i-2),ityp1,
-> c     &   " ityp2",itype(i-1),ityp2," ityp3",itype(i),ityp3
-> c        call flush(iout)
->         ethetai=aa0thet(ityp1,ityp2,ityp3)
->         do k=1,ndouble
->           do l=1,k-1
->             ccl=cosph1(l)*cosph2(k-l)
->             ssl=sinph1(l)*sinph2(k-l)
->             scl=sinph1(l)*cosph2(k-l)
->             csl=cosph1(l)*sinph2(k-l)
->             cosph1ph2(l,k)=ccl-ssl
->             cosph1ph2(k,l)=ccl+ssl
->             sinph1ph2(l,k)=scl+csl
->             sinph1ph2(k,l)=scl-csl
->           enddo
->         enddo
->         if (lprn) then
->         write (iout,*) "i",i," ityp1",ityp1," ityp2",ityp2,
->      &    " ityp3",ityp3," theti2",theti2," phii",phii," phii1",phii1
->         write (iout,*) "coskt and sinkt"
->         do k=1,nntheterm
->           write (iout,*) k,coskt(k),sinkt(k)
->         enddo
->         endif
->         do k=1,ntheterm
->           ethetai=ethetai+aathet(k,ityp1,ityp2,ityp3)*sinkt(k)
->           dethetai=dethetai+0.5d0*k*aathet(k,ityp1,ityp2,ityp3)
->      &      *coskt(k)
->           if (lprn)
->      &    write (iout,*) "k",k," aathet",aathet(k,ityp1,ityp2,ityp3),
->      &     " ethetai",ethetai
->         enddo
->         if (lprn) then
->         write (iout,*) "cosph and sinph"
->         do k=1,nsingle
->           write (iout,*) k,cosph1(k),sinph1(k),cosph2(k),sinph2(k)
->         enddo
->         write (iout,*) "cosph1ph2 and sinph2ph2"
->         do k=2,ndouble
->           do l=1,k-1
->             write (iout,*) l,k,cosph1ph2(l,k),cosph1ph2(k,l),
->      &         sinph1ph2(l,k),sinph1ph2(k,l) 
->           enddo
->         enddo
->         write(iout,*) "ethetai",ethetai
->         endif
->         do m=1,ntheterm2
->           do k=1,nsingle
->             aux=bbthet(k,m,ityp1,ityp2,ityp3)*cosph1(k)
->      &         +ccthet(k,m,ityp1,ityp2,ityp3)*sinph1(k)
->      &         +ddthet(k,m,ityp1,ityp2,ityp3)*cosph2(k)
->      &         +eethet(k,m,ityp1,ityp2,ityp3)*sinph2(k)
->             ethetai=ethetai+sinkt(m)*aux
->             dethetai=dethetai+0.5d0*m*aux*coskt(m)
->             dephii=dephii+k*sinkt(m)*(
->      &          ccthet(k,m,ityp1,ityp2,ityp3)*cosph1(k)-
->      &          bbthet(k,m,ityp1,ityp2,ityp3)*sinph1(k))
->             dephii1=dephii1+k*sinkt(m)*(
->      &          eethet(k,m,ityp1,ityp2,ityp3)*cosph2(k)-
->      &          ddthet(k,m,ityp1,ityp2,ityp3)*sinph2(k))
->             if (lprn)
->      &      write (iout,*) "m",m," k",k," bbthet",
->      &         bbthet(k,m,ityp1,ityp2,ityp3)," ccthet",
->      &         ccthet(k,m,ityp1,ityp2,ityp3)," ddthet",
->      &         ddthet(k,m,ityp1,ityp2,ityp3)," eethet",
->      &         eethet(k,m,ityp1,ityp2,ityp3)," ethetai",ethetai
->           enddo
->         enddo
->         if (lprn)
->      &  write(iout,*) "ethetai",ethetai
->         do m=1,ntheterm3
->           do k=2,ndouble
->             do l=1,k-1
->               aux=ffthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)+
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)+
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)
->               ethetai=ethetai+sinkt(m)*aux
->               dethetai=dethetai+0.5d0*m*coskt(m)*aux
->               dephii=dephii+l*sinkt(m)*(
->      &           -ffthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)-
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)+
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l))
->               dephii1=dephii1+(k-l)*sinkt(m)*(
->      &           -ffthet(l,k,m,ityp1,ityp2,ityp3)*sinph1ph2(l,k)+
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)*sinph1ph2(k,l)+
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3)*cosph1ph2(l,k)-
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)*cosph1ph2(k,l))
->               if (lprn) then
->               write (iout,*) "m",m," k",k," l",l," ffthet",
->      &            ffthet(l,k,m,ityp1,ityp2,ityp3),
->      &            ffthet(k,l,m,ityp1,ityp2,ityp3)," ggthet",
->      &            ggthet(l,k,m,ityp1,ityp2,ityp3),
->      &            ggthet(k,l,m,ityp1,ityp2,ityp3)," ethetai",ethetai
->               write (iout,*) cosph1ph2(l,k)*sinkt(m),
->      &            cosph1ph2(k,l)*sinkt(m),
->      &            sinph1ph2(l,k)*sinkt(m),sinph1ph2(k,l)*sinkt(m)
->               endif
->             enddo
->           enddo
->         enddo
-> 10      continue
->         if (lprn1) write (iout,'(i2,3f8.1,9h ethetai ,f10.5)') 
->      &   i,theta(i)*rad2deg,phii*rad2deg,
->      &   phii1*rad2deg,ethetai
->         etheta=etheta+ethetai
->         if (i.gt.3) gloc(i-3,icg)=gloc(i-3,icg)+wang*dephii
->         if (i.lt.nres) gloc(i-2,icg)=gloc(i-2,icg)+wang*dephii1
->         gloc(nphi+i-2,icg)=wang*dethetai
->       enddo
->       return
->       end
-> #endif
-> #ifdef CRYST_SC
-3252c3517
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3525a3791,4113
-> #else
-> c----------------------------------------------------------------------------------
->       subroutine esc(escloc)
-> C Calculate the local energy of a side chain and its derivatives in the
-> C corresponding virtual-bond valence angles THETA and the spherical angles 
-> C ALPHA and OMEGA derived from AM1 all-atom calculations.
-> C added by Urszula Kozlowska. 07/11/2007
-> C
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.GEO'
->       include 'COMMON.LOCAL'
->       include 'COMMON.VAR'
->       include 'COMMON.SCROT'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.CHAIN'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.NAMES'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       include 'COMMON.VECTORS'
->       double precision x_prime(3),y_prime(3),z_prime(3)
->      &    , sumene,dsc_i,dp2_i,x(65),
->      &     xx,yy,zz,sumene1,sumene2,sumene3,sumene4,s1,s1_6,s2,s2_6,
->      &    de_dxx,de_dyy,de_dzz,de_dt
->       double precision s1_t,s1_6_t,s2_t,s2_6_t
->       double precision 
->      & dXX_Ci1(3),dYY_Ci1(3),dZZ_Ci1(3),dXX_Ci(3),
->      & dYY_Ci(3),dZZ_Ci(3),dXX_XYZ(3),dYY_XYZ(3),dZZ_XYZ(3),
->      & dt_dCi(3),dt_dCi1(3)
->       common /sccalc/ time11,time12,time112,theti,it,nlobit
->       delta=0.02d0*pi
->       escloc=0.0D0
->       do i=loc_start,loc_end
->         costtab(i+1) =dcos(theta(i+1))
->         sinttab(i+1) =dsqrt(1-costtab(i+1)*costtab(i+1))
->         cost2tab(i+1)=dsqrt(0.5d0*(1.0d0+costtab(i+1)))
->         sint2tab(i+1)=dsqrt(0.5d0*(1.0d0-costtab(i+1)))
->         cosfac2=0.5d0/(1.0d0+costtab(i+1))
->         cosfac=dsqrt(cosfac2)
->         sinfac2=0.5d0/(1.0d0-costtab(i+1))
->         sinfac=dsqrt(sinfac2)
->         it=itype(i)
->         if (it.eq.10) goto 1
-> c
-> C  Compute the axes of tghe local cartesian coordinates system; store in
-> c   x_prime, y_prime and z_prime 
-> c
->         do j=1,3
->           x_prime(j) = 0.00
->           y_prime(j) = 0.00
->           z_prime(j) = 0.00
->         enddo
-> C        write(2,*) "dc_norm", dc_norm(1,i+nres),dc_norm(2,i+nres),
-> C     &   dc_norm(3,i+nres)
->         do j = 1,3
->           x_prime(j) = (dc_norm(j,i) - dc_norm(j,i-1))*cosfac
->           y_prime(j) = (dc_norm(j,i) + dc_norm(j,i-1))*sinfac
->         enddo
->         do j = 1,3
->           z_prime(j) = -uz(j,i-1)
->         enddo     
-> c       write (2,*) "i",i
-> c       write (2,*) "x_prime",(x_prime(j),j=1,3)
-> c       write (2,*) "y_prime",(y_prime(j),j=1,3)
-> c       write (2,*) "z_prime",(z_prime(j),j=1,3)
-> c       write (2,*) "xx",scalar(x_prime(1),x_prime(1)),
-> c      & " xy",scalar(x_prime(1),y_prime(1)),
-> c      & " xz",scalar(x_prime(1),z_prime(1)),
-> c      & " yy",scalar(y_prime(1),y_prime(1)),
-> c      & " yz",scalar(y_prime(1),z_prime(1)),
-> c      & " zz",scalar(z_prime(1),z_prime(1))
-> c
-> C Transform the unit vector of the ith side-chain centroid, dC_norm(*,i),
-> C to local coordinate system. Store in xx, yy, zz.
-> c
->         xx=0.0d0
->         yy=0.0d0
->         zz=0.0d0
->         do j = 1,3
->           xx = xx + x_prime(j)*dc_norm(j,i+nres)
->           yy = yy + y_prime(j)*dc_norm(j,i+nres)
->           zz = zz + z_prime(j)*dc_norm(j,i+nres)
->         enddo
-> 
->         xxtab(i)=xx
->         yytab(i)=yy
->         zztab(i)=zz
-> C
-> C Compute the energy of the ith side cbain
-> C
-> c        write (2,*) "xx",xx," yy",yy," zz",zz
->         it=itype(i)
->         do j = 1,65
->           x(j) = sc_parmin(j,it) 
->         enddo
-> #ifdef CHECK_COORD
-> Cc diagnostics - remove later
->         xx1 = dcos(alph(2))
->         yy1 = dsin(alph(2))*dcos(omeg(2))
->         zz1 = -dsin(alph(2))*dsin(omeg(2))
->         write(2,'(3f8.1,3f9.3,1x,3f9.3)') 
->      &    alph(2)*rad2deg,omeg(2)*rad2deg,theta(3)*rad2deg,xx,yy,zz,
->      &    xx1,yy1,zz1
-> C,"  --- ", xx_w,yy_w,zz_w
-> c end diagnostics
-> #endif
->         sumene1= x(1)+  x(2)*xx+  x(3)*yy+  x(4)*zz+  x(5)*xx**2
->      &   + x(6)*yy**2+  x(7)*zz**2+  x(8)*xx*zz+  x(9)*xx*yy
->      &   + x(10)*yy*zz
->         sumene2=  x(11) + x(12)*xx + x(13)*yy + x(14)*zz + x(15)*xx**2
->      & + x(16)*yy**2 + x(17)*zz**2 + x(18)*xx*zz + x(19)*xx*yy
->      & + x(20)*yy*zz
->         sumene3=  x(21) +x(22)*xx +x(23)*yy +x(24)*zz +x(25)*xx**2
->      &  +x(26)*yy**2 +x(27)*zz**2 +x(28)*xx*zz +x(29)*xx*yy
->      &  +x(30)*yy*zz +x(31)*xx**3 +x(32)*yy**3 +x(33)*zz**3
->      &  +x(34)*(xx**2)*yy +x(35)*(xx**2)*zz +x(36)*(yy**2)*xx
->      &  +x(37)*(yy**2)*zz +x(38)*(zz**2)*xx +x(39)*(zz**2)*yy
->      &  +x(40)*xx*yy*zz
->         sumene4= x(41) +x(42)*xx +x(43)*yy +x(44)*zz +x(45)*xx**2
->      &  +x(46)*yy**2 +x(47)*zz**2 +x(48)*xx*zz +x(49)*xx*yy
->      &  +x(50)*yy*zz +x(51)*xx**3 +x(52)*yy**3 +x(53)*zz**3
->      &  +x(54)*(xx**2)*yy +x(55)*(xx**2)*zz +x(56)*(yy**2)*xx
->      &  +x(57)*(yy**2)*zz +x(58)*(zz**2)*xx +x(59)*(zz**2)*yy
->      &  +x(60)*xx*yy*zz
->         dsc_i   = 0.743d0+x(61)
->         dp2_i   = 1.9d0+x(62)
->         dscp1=dsqrt(dsc_i**2+dp2_i**2-2*dsc_i*dp2_i
->      &          *(xx*cost2tab(i+1)+yy*sint2tab(i+1)))
->         dscp2=dsqrt(dsc_i**2+dp2_i**2-2*dsc_i*dp2_i
->      &          *(xx*cost2tab(i+1)-yy*sint2tab(i+1)))
->         s1=(1+x(63))/(0.1d0 + dscp1)
->         s1_6=(1+x(64))/(0.1d0 + dscp1**6)
->         s2=(1+x(65))/(0.1d0 + dscp2)
->         s2_6=(1+x(65))/(0.1d0 + dscp2**6)
->         sumene = ( sumene3*sint2tab(i+1) + sumene1)*(s1+s1_6)
->      & + (sumene4*cost2tab(i+1) +sumene2)*(s2+s2_6)
-> c        write(2,'(i2," sumene",7f9.3)') i,sumene1,sumene2,sumene3,
-> c     &   sumene4,
-> c     &   dscp1,dscp2,sumene
-> c        sumene = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         escloc = escloc + sumene
-> c        write (2,*) "escloc",escloc
->         if (.not. calc_grad) goto 1
-> #ifdef DEBUG
-> C
-> C This section to check the numerical derivatives of the energy of ith side
-> C chain in xx, yy, zz, and theta. Use the -DDEBUG compiler option or insert
-> C #define DEBUG in the code to turn it on.
-> C
->         write (2,*) "sumene               =",sumene
->         aincr=1.0d-7
->         xxsave=xx
->         xx=xx+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dxx_num=(sumenep-sumene)/aincr
->         xx=xxsave
->         write (2,*) "xx+ sumene from enesc=",sumenep
->         yysave=yy
->         yy=yy+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dyy_num=(sumenep-sumene)/aincr
->         yy=yysave
->         write (2,*) "yy+ sumene from enesc=",sumenep
->         zzsave=zz
->         zz=zz+aincr
->         write (2,*) xx,yy,zz
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dzz_num=(sumenep-sumene)/aincr
->         zz=zzsave
->         write (2,*) "zz+ sumene from enesc=",sumenep
->         costsave=cost2tab(i+1)
->         sintsave=sint2tab(i+1)
->         cost2tab(i+1)=dcos(0.5d0*(theta(i+1)+aincr))
->         sint2tab(i+1)=dsin(0.5d0*(theta(i+1)+aincr))
->         sumenep = enesc(x,xx,yy,zz,cost2tab(i+1),sint2tab(i+1))
->         de_dt_num=(sumenep-sumene)/aincr
->         write (2,*) " t+ sumene from enesc=",sumenep
->         cost2tab(i+1)=costsave
->         sint2tab(i+1)=sintsave
-> C End of diagnostics section.
-> #endif
-> C        
-> C Compute the gradient of esc
-> C
->         pom_s1=(1.0d0+x(63))/(0.1d0 + dscp1)**2
->         pom_s16=6*(1.0d0+x(64))/(0.1d0 + dscp1**6)**2
->         pom_s2=(1.0d0+x(65))/(0.1d0 + dscp2)**2
->         pom_s26=6*(1.0d0+x(65))/(0.1d0 + dscp2**6)**2
->         pom_dx=dsc_i*dp2_i*cost2tab(i+1)
->         pom_dy=dsc_i*dp2_i*sint2tab(i+1)
->         pom_dt1=-0.5d0*dsc_i*dp2_i*(xx*sint2tab(i+1)-yy*cost2tab(i+1))
->         pom_dt2=-0.5d0*dsc_i*dp2_i*(xx*sint2tab(i+1)+yy*cost2tab(i+1))
->         pom1=(sumene3*sint2tab(i+1)+sumene1)
->      &     *(pom_s1/dscp1+pom_s16*dscp1**4)
->         pom2=(sumene4*cost2tab(i+1)+sumene2)
->      &     *(pom_s2/dscp2+pom_s26*dscp2**4)
->         sumene1x=x(2)+2*x(5)*xx+x(8)*zz+ x(9)*yy
->         sumene3x=x(22)+2*x(25)*xx+x(28)*zz+x(29)*yy+3*x(31)*xx**2
->      &  +2*x(34)*xx*yy +2*x(35)*xx*zz +x(36)*(yy**2) +x(38)*(zz**2)
->      &  +x(40)*yy*zz
->         sumene2x=x(12)+2*x(15)*xx+x(18)*zz+ x(19)*yy
->         sumene4x=x(42)+2*x(45)*xx +x(48)*zz +x(49)*yy +3*x(51)*xx**2
->      &  +2*x(54)*xx*yy+2*x(55)*xx*zz+x(56)*(yy**2)+x(58)*(zz**2)
->      &  +x(60)*yy*zz
->         de_dxx =(sumene1x+sumene3x*sint2tab(i+1))*(s1+s1_6)
->      &        +(sumene2x+sumene4x*cost2tab(i+1))*(s2+s2_6)
->      &        +(pom1+pom2)*pom_dx
-> #ifdef DEBUG
->         write(2,*), "de_dxx = ", de_dxx,de_dxx_num
-> #endif
-> C
->         sumene1y=x(3) + 2*x(6)*yy + x(9)*xx + x(10)*zz
->         sumene3y=x(23) +2*x(26)*yy +x(29)*xx +x(30)*zz +3*x(32)*yy**2
->      &  +x(34)*(xx**2) +2*x(36)*yy*xx +2*x(37)*yy*zz +x(39)*(zz**2)
->      &  +x(40)*xx*zz
->         sumene2y=x(13) + 2*x(16)*yy + x(19)*xx + x(20)*zz
->         sumene4y=x(43)+2*x(46)*yy+x(49)*xx +x(50)*zz
->      &  +3*x(52)*yy**2+x(54)*xx**2+2*x(56)*yy*xx +2*x(57)*yy*zz
->      &  +x(59)*zz**2 +x(60)*xx*zz
->         de_dyy =(sumene1y+sumene3y*sint2tab(i+1))*(s1+s1_6)
->      &        +(sumene2y+sumene4y*cost2tab(i+1))*(s2+s2_6)
->      &        +(pom1-pom2)*pom_dy
-> #ifdef DEBUG
->         write(2,*), "de_dyy = ", de_dyy,de_dyy_num
-> #endif
-> C
->         de_dzz =(x(24) +2*x(27)*zz +x(28)*xx +x(30)*yy
->      &  +3*x(33)*zz**2 +x(35)*xx**2 +x(37)*yy**2 +2*x(38)*zz*xx 
->      &  +2*x(39)*zz*yy +x(40)*xx*yy)*sint2tab(i+1)*(s1+s1_6) 
->      &  +(x(4) + 2*x(7)*zz+  x(8)*xx + x(10)*yy)*(s1+s1_6) 
->      &  +(x(44)+2*x(47)*zz +x(48)*xx   +x(50)*yy  +3*x(53)*zz**2   
->      &  +x(55)*xx**2 +x(57)*(yy**2)+2*x(58)*zz*xx +2*x(59)*zz*yy  
->      &  +x(60)*xx*yy)*cost2tab(i+1)*(s2+s2_6)
->      &  + ( x(14) + 2*x(17)*zz+  x(18)*xx + x(20)*yy)*(s2+s2_6)
-> #ifdef DEBUG
->         write(2,*), "de_dzz = ", de_dzz,de_dzz_num
-> #endif
-> C
->         de_dt =  0.5d0*sumene3*cost2tab(i+1)*(s1+s1_6) 
->      &  -0.5d0*sumene4*sint2tab(i+1)*(s2+s2_6)
->      &  +pom1*pom_dt1+pom2*pom_dt2
-> #ifdef DEBUG
->         write(2,*), "de_dt = ", de_dt,de_dt_num
-> #endif
-> c 
-> C
->        cossc=scalar(dc_norm(1,i),dc_norm(1,i+nres))
->        cossc1=scalar(dc_norm(1,i-1),dc_norm(1,i+nres))
->        cosfac2xx=cosfac2*xx
->        sinfac2yy=sinfac2*yy
->        do k = 1,3
->          dt_dCi(k) = -(dc_norm(k,i-1)+costtab(i+1)*dc_norm(k,i))*
->      &      vbld_inv(i+1)
->          dt_dCi1(k)= -(dc_norm(k,i)+costtab(i+1)*dc_norm(k,i-1))*
->      &      vbld_inv(i)
->          pom=(dC_norm(k,i+nres)-cossc*dC_norm(k,i))*vbld_inv(i+1)
->          pom1=(dC_norm(k,i+nres)-cossc1*dC_norm(k,i-1))*vbld_inv(i)
-> c         write (iout,*) "i",i," k",k," pom",pom," pom1",pom1,
-> c     &    " dt_dCi",dt_dCi(k)," dt_dCi1",dt_dCi1(k)
-> c         write (iout,*) "dC_norm",(dC_norm(j,i),j=1,3),
-> c     &   (dC_norm(j,i-1),j=1,3)," vbld_inv",vbld_inv(i+1),vbld_inv(i)
->          dXX_Ci(k)=pom*cosfac-dt_dCi(k)*cosfac2xx
->          dXX_Ci1(k)=-pom1*cosfac-dt_dCi1(k)*cosfac2xx
->          dYY_Ci(k)=pom*sinfac+dt_dCi(k)*sinfac2yy
->          dYY_Ci1(k)=pom1*sinfac+dt_dCi1(k)*sinfac2yy
->          dZZ_Ci1(k)=0.0d0
->          dZZ_Ci(k)=0.0d0
->          do j=1,3
->            dZZ_Ci(k)=dZZ_Ci(k)-uzgrad(j,k,2,i-1)*dC_norm(j,i+nres)
->            dZZ_Ci1(k)=dZZ_Ci1(k)-uzgrad(j,k,1,i-1)*dC_norm(j,i+nres)
->          enddo
->           
->          dXX_XYZ(k)=vbld_inv(i+nres)*(x_prime(k)-xx*dC_norm(k,i+nres))
->          dYY_XYZ(k)=vbld_inv(i+nres)*(y_prime(k)-yy*dC_norm(k,i+nres))
->          dZZ_XYZ(k)=vbld_inv(i+nres)*(z_prime(k)-zz*dC_norm(k,i+nres))
-> c
->          dt_dCi(k) = -dt_dCi(k)/sinttab(i+1)
->          dt_dCi1(k)= -dt_dCi1(k)/sinttab(i+1)
->        enddo
-> 
->        do k=1,3
->          dXX_Ctab(k,i)=dXX_Ci(k)
->          dXX_C1tab(k,i)=dXX_Ci1(k)
->          dYY_Ctab(k,i)=dYY_Ci(k)
->          dYY_C1tab(k,i)=dYY_Ci1(k)
->          dZZ_Ctab(k,i)=dZZ_Ci(k)
->          dZZ_C1tab(k,i)=dZZ_Ci1(k)
->          dXX_XYZtab(k,i)=dXX_XYZ(k)
->          dYY_XYZtab(k,i)=dYY_XYZ(k)
->          dZZ_XYZtab(k,i)=dZZ_XYZ(k)
->        enddo
-> 
->        do k = 1,3
-> c         write (iout,*) "k",k," dxx_ci1",dxx_ci1(k)," dyy_ci1",
-> c     &    dyy_ci1(k)," dzz_ci1",dzz_ci1(k)
-> c         write (iout,*) "k",k," dxx_ci",dxx_ci(k)," dyy_ci",
-> c     &    dyy_ci(k)," dzz_ci",dzz_ci(k)
-> c         write (iout,*) "k",k," dt_dci",dt_dci(k)," dt_dci",
-> c     &    dt_dci(k)
-> c         write (iout,*) "k",k," dxx_XYZ",dxx_XYZ(k)," dyy_XYZ",
-> c     &    dyy_XYZ(k)," dzz_XYZ",dzz_XYZ(k) 
->          gscloc(k,i-1)=gscloc(k,i-1)+de_dxx*dxx_ci1(k)
->      &    +de_dyy*dyy_ci1(k)+de_dzz*dzz_ci1(k)+de_dt*dt_dCi1(k)
->          gscloc(k,i)=gscloc(k,i)+de_dxx*dxx_Ci(k)
->      &    +de_dyy*dyy_Ci(k)+de_dzz*dzz_Ci(k)+de_dt*dt_dCi(k)
->          gsclocx(k,i)=                 de_dxx*dxx_XYZ(k)
->      &    +de_dyy*dyy_XYZ(k)+de_dzz*dzz_XYZ(k)
->        enddo
-> c       write(iout,*) "ENERGY GRAD = ", (gscloc(k,i-1),k=1,3),
-> c     &  (gscloc(k,i),k=1,3),(gsclocx(k,i),k=1,3)  
-> 
-> C to check gradient call subroutine check_grad
-> 
->     1 continue
->       enddo
->       return
->       end
-> #endif
-3563c4151
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3611c4199
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3694c4282
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3780c4368
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-3847a4436,4486
->       subroutine eback_sc_corr(esccor)
-> c 7/21/2007 Correlations between the backbone-local and side-chain-local
-> c        conformational states; temporarily implemented as differences
-> c        between UNRES torsional potentials (dependent on three types of
-> c        residues) and the torsional potentials dependent on all 20 types
-> c        of residues computed from AM1 energy surfaces of terminally-blocked
-> c        amino-acid residues.
->       implicit real*8 (a-h,o-z)
->       include 'DIMENSIONS'
->       include 'DIMENSIONS.ZSCOPT'
->       include 'COMMON.VAR'
->       include 'COMMON.GEO'
->       include 'COMMON.LOCAL'
->       include 'COMMON.TORSION'
->       include 'COMMON.SCCOR'
->       include 'COMMON.INTERACT'
->       include 'COMMON.DERIV'
->       include 'COMMON.CHAIN'
->       include 'COMMON.NAMES'
->       include 'COMMON.IOUNITS'
->       include 'COMMON.FFIELD'
->       include 'COMMON.CONTROL'
->       logical lprn
-> C Set lprn=.true. for debugging
->       lprn=.false.
-> c      lprn=.true.
-> c      write (iout,*) "EBACK_SC_COR",iphi_start,iphi_end,nterm_sccor
->       esccor=0.0D0
->       do i=iphi_start,iphi_end
->         esccor_ii=0.0D0
->         itori=itype(i-2)
->         itori1=itype(i-1)
->         phii=phi(i)
->         gloci=0.0D0
->         do j=1,nterm_sccor
->           v1ij=v1sccor(j,itori,itori1)
->           v2ij=v2sccor(j,itori,itori1)
->           cosphi=dcos(j*phii)
->           sinphi=dsin(j*phii)
->           esccor=esccor+v1ij*cosphi+v2ij*sinphi
->           gloci=gloci+j*(v2ij*cosphi-v1ij*sinphi)
->         enddo
->         if (lprn)
->      &  write (iout,'(2(a3,2x,i3,2x),2i3,6f8.3/26x,6f8.3/)')
->      &  restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,itori,itori1,
->      &  (v1sccor(j,itori,itori1),j=1,6),(v2sccor(j,itori,itori1),j=1,6)
->         gsccor_loc(i-3)=gloci
->       enddo
->       return
->       end
-> c------------------------------------------------------------------------------
-4003c4642
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4189c4828
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4498c5137
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4565c5204
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-4942c5581
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5059c5698
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5460c6099
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5597c6236
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5703c6342
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-5890c6529
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-6006c6645
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'
-6252c6891
-<       include 'sizesclu.dat'
----
->       include 'DIMENSIONS.ZSCOPT'

diff --git a/source/cluster/wham/src/energy_p_new.F b/source/cluster/wham/src/energy_p_new.F
index 1b69eb3..1d9dda4 100644 (file)
--- a/source/cluster/wham/src/energy_p_new.F
+++ b/source/cluster/wham/src/energy_p_new.F
@@ -336,7 +336,7 @@ C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'

-      include "DIMENSIONS.COMPAR"
+c      include "DIMENSIONS.COMPAR"

       parameter (accur=1.0d-10)
       include 'COMMON.GEO'
       include 'COMMON.VAR'
       parameter (accur=1.0d-10)
       include 'COMMON.GEO'
       include 'COMMON.VAR'

@@ -497,7 +497,7 @@ C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'

-      include "DIMENSIONS.COMPAR"
+c      include "DIMENSIONS.COMPAR"

       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'
       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'

@@ -586,7 +586,7 @@ C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'

-      include "DIMENSIONS.COMPAR"
+c      include "DIMENSIONS.COMPAR"

       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'
       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'

@@ -713,7 +713,7 @@ C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'

-      include "DIMENSIONS.COMPAR"
+c      include "DIMENSIONS.COMPAR"

       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'
       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'

@@ -844,7 +844,7 @@ C
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'
       implicit real*8 (a-h,o-z)
       include 'DIMENSIONS'
       include 'sizesclu.dat'

-      include "DIMENSIONS.COMPAR"
+c      include "DIMENSIONS.COMPAR"

       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'
       include 'COMMON.GEO'
       include 'COMMON.VAR'
       include 'COMMON.LOCAL'

diff --git a/source/cluster/wham/src/include_unres/COMMON.CALC b/source/cluster/wham/src/include_unres/COMMON.CALC
new file mode 100644 (file)
index 0000000..67b4bb9
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.CALC
@@ -0,0 +1,15 @@
+      integer i,j,k,l 
+      double precision erij,rij,xj,yj,zj,dxi,dyi,dzi,dxj,dyj,dzj,
+     & chi1,chi2,chi12,chip1,chip2,chip12,alf1,alf2,alf12,om1,om2,om12,
+     & om1om2,chiom1,chiom2,chiom12,chipom1,chipom2,chipom12,eps1,
+     & faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2,
+     & sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2,
+     & eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,sigder,
+     & dsci_inv,dscj_inv,gg
+      common /calc/ erij(3),rij,xj,yj,zj,dxi,dyi,dzi,dxj,dyj,dzj,
+     & chi1,chi2,chi12,chip1,chip2,chip12,alf1,alf2,alf12,om1,om2,om12,
+     & om1om2,chiom1,chiom2,chiom12,chipom1,chipom2,chipom12,eps1,
+     & faceps1,faceps1_inv,eps1_om12,facsig,sigsq,sigsq_om1,sigsq_om2,
+     & sigsq_om12,facp,facp_inv,facp1,eps2rt,eps2rt_om1,eps2rt_om2,
+     & eps2rt_om12,eps3rt,eom1,eom2,eom12,evdwij,eps2der,eps3der,sigder,
+     & dsci_inv,dscj_inv,gg(3),i,j

diff --git a/source/cluster/wham/src/include_unres/COMMON.CONTACTS b/source/cluster/wham/src/include_unres/COMMON.CONTACTS
new file mode 100644 (file)
index 0000000..d07a0f0
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.CONTACTS
@@ -0,0 +1,68 @@
+C Change 12/1/95 - common block CONTACTS1 included.
+      integer ncont,ncont_ref,icont,icont_ref,num_cont,jcont
+      double precision facont,gacont
+      common /contacts/ ncont,ncont_ref,icont(2,maxcont),
+     &                  icont_ref(2,maxcont)
+      common /contacts1/ facont(maxconts,maxres),
+     &                  gacont(3,maxconts,maxres),
+     &                  num_cont(maxres),jcont(maxconts,maxres)
+C 12/26/95 - H-bonding contacts
+      common /contacts_hb/ 
+     &  gacontp_hb1(3,maxconts,maxres),gacontp_hb2(3,maxconts,maxres),
+     &  gacontp_hb3(3,maxconts,maxres),
+     &  gacontm_hb1(3,maxconts,maxres),gacontm_hb2(3,maxconts,maxres),
+     &  gacontm_hb3(3,maxconts,maxres),
+     &  gacont_hbr(3,maxconts,maxres),
+     &  grij_hb_cont(3,maxconts,maxres),
+     &  facont_hb(maxconts,maxres),ees0p(maxconts,maxres),
+     &  ees0m(maxconts,maxres),d_cont(maxconts,maxres),
+     &  num_cont_hb(maxres),jcont_hb(maxconts,maxres)
+C 9/23/99 Added improper rotation matrices and matrices of dipole-dipole 
+C         interactions     
+C Interactions of pseudo-dipoles generated by loc-el interactions.
+      double precision dip,dipderg,dipderx
+      common /dipint/ dip(4,maxconts,maxres),dipderg(4,maxconts,maxres),
+     &  dipderx(3,5,4,maxconts,maxres)
+C 10/30/99 Added other pre-computed vectors and matrices needed 
+C          to calculate three - six-order el-loc correlation terms
+      double precision Ug,Ugder,Ug2,Ug2der,obrot,obrot2,obrot_der,
+     &  obrot2_der,Ub2,Ub2der,mu,muder,EUg,EUgder,CUg,CUgder,
+     &  DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der
+      common /rotat/ Ug(2,2,maxres),Ugder(2,2,maxres),Ug2(2,2,maxres),
+     &  Ug2der(2,2,maxres),obrot(2,maxres),obrot2(2,maxres),
+     &  obrot_der(2,maxres),obrot2_der(2,maxres)
+C This common block contains vectors and matrices dependent on a single
+C amino-acid residue.
+      common /precomp1/ Ub2(2,maxres),Ub2der(2,maxres),mu(2,maxres),
+     &  EUg(2,2,maxres),EUgder(2,2,maxres),CUg(2,2,maxres),
+     &  CUgder(2,2,maxres),DUg(2,2,maxres),Dugder(2,2,maxres),
+     &  DtUg2(2,2,maxres),DtUg2der(2,2,maxres),Ctobr(2,maxres),
+     &  Ctobrder(2,maxres),Dtobr2(2,maxres),Dtobr2der(2,maxres)
+C This common block contains vectors and matrices dependent on two
+C consecutive amino-acid residues.
+      double precision Ug2Db1t,Ug2Db1tder,CUgb2,CUgb2der,EUgC,
+     &  EUgCder,EUgD,EUgDder,DtUg2EUg,DtUg2EUgder
+      common /precomp2/ Ug2Db1t(2,maxres),Ug2Db1tder(2,maxres),
+     &  CUgb2(2,maxres),CUgb2der(2,maxres),EUgC(2,2,maxres),
+     &  EUgCder(2,2,maxres),EUgD(2,2,maxres),EUgDder(2,2,maxres),
+     &  DtUg2EUg(2,2,maxres),DtUg2EUgder(2,2,2,maxres),
+     &  Ug2DtEUg(2,2,maxres),Ug2DtEUgder(2,2,2,maxres)
+      double precision costab,sintab,costab2,sintab2
+      common /rotat_old/ costab(maxres),sintab(maxres),
+     &  costab2(maxres),sintab2(maxres),muder(2,maxres)
+C This common block contains dipole-interaction matrices and their 
+C Cartesian derivatives.
+      double precision a_chuj,a_chuj_der
+      common /dipmat/ a_chuj(2,2,maxconts,maxres),
+     &  a_chuj_der(2,2,3,5,maxconts,maxres)
+      double precision AEA,AEAderg,AEAderx,AECA,AECAderg,AECAderx,
+     &  ADtEA,ADtEAderg,ADtEAderx,AEAb1,AEAb1derg,AEAb1derx,
+     &  AEAb2,AEAb2derg,AEAb2derx
+      common /diploc/ AEA(2,2,2),AEAderg(2,2,2),AEAderx(2,2,3,5,2,2),
+     &  EAEA(2,2,2), EAEAderg(2,2,2,2), EAEAderx(2,2,3,5,2,2),
+     &  AECA(2,2,2),AECAderg(2,2,2),AECAderx(2,2,3,5,2,2),
+     &  ADtEA(2,2,2),ADtEAderg(2,2,2,2),ADtEAderx(2,2,3,5,2,2),
+     &  ADtEA1(2,2,2),ADtEA1derg(2,2,2,2),ADtEA1derx(2,2,3,5,2,2),
+     &  AEAb1(2,2,2),AEAb1derg(2,2,2),AEAb1derx(2,3,5,2,2,2),
+     &  AEAb2(2,2,2),AEAb2derg(2,2,2,2),AEAb2derx(2,3,5,2,2,2),
+     &  g_contij(3,2),ekont

diff --git a/source/cluster/wham/src/include_unres/COMMON.CONTPAR b/source/cluster/wham/src/include_unres/COMMON.CONTPAR
new file mode 100644 (file)
index 0000000..97a73eb
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.CONTPAR
@@ -0,0 +1,3 @@
+      double precision sig_comp,chi_comp,chip_comp,sc_cutoff
+      common /contpar/ sig_comp(ntyp,ntyp),chi_comp(ntyp,ntyp),
+     & chip_comp(ntyp,ntyp),sc_cutoff(ntyp,ntyp)

diff --git a/source/cluster/wham/src/include_unres/COMMON.DERIV b/source/cluster/wham/src/include_unres/COMMON.DERIV
new file mode 100644 (file)
index 0000000..79f8630
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.DERIV
@@ -0,0 +1,30 @@
+      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gvdwpp,
+     & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gvdwx,gradcorr,gradxorr,
+     & gradcorr5,gradcorr6,gel_loc,gcorr3_turn,gcorr4_turn,gcorr6_turn,
+     & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc,
+     & g_corr5_loc,g_corr6_loc,gradb,gradbx,gsccorc,gsccorx,gsccor_loc,
+     & gscloc,gsclocx
+      integer nfl,icg
+      logical calc_grad
+      common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
+     & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres),
+     & gvdwc(3,maxres),gelc(3,maxres),gvdwpp(3,maxres),
+     & gradx_scp(3,maxres),
+     & gvdwc_scp(3,maxres),ghpbx(3,maxres),ghpbc(3,maxres),
+     & gloc(maxvar,2),gradcorr(3,maxres),gradxorr(3,maxres),
+     & gradcorr5(3,maxres),gradcorr6(3,maxres),
+     & gel_loc(3,maxres),gcorr3_turn(3,maxres),gcorr4_turn(3,maxres),
+     & gcorr6_turn(3,maxres),gradb(3,maxres),gradbx(3,maxres),
+     & gel_loc_loc(maxvar),gel_loc_turn3(maxvar),gel_loc_turn4(maxvar),
+     & gel_loc_turn6(maxvar),gcorr_loc(maxvar),
+     & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
+     & gsccorx(3,maxres),gsccor_loc(maxres),
+     & gscloc(3,maxres),gsclocx(3,maxres),nfl,icg,calc_grad
+      double precision derx,derx_turn
+      common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
+      double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
+     &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
+     &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
+     &  dZZ_XYZtab(3,maxres)
+      common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
+     &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab

diff --git a/source/cluster/wham/src/include_unres/COMMON.FFIELD b/source/cluster/wham/src/include_unres/COMMON.FFIELD
new file mode 100644 (file)
index 0000000..0c169f7
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.FFIELD
@@ -0,0 +1,28 @@
+C-----------------------------------------------------------------------
+C The following COMMON block selects the type of the force field used in
+C calculations and defines weights of various energy terms.
+C 12/1/95 wcorr added
+C-----------------------------------------------------------------------
+      double precision wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
+     &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
+     &    wturn6,wvdwpp,wbond,weights,scal14,cutoff_corr,delt_corr,
+     &    r0_corr
+      integer ipot,n_ene_comp
+      common /ffield/ wsc,wscp,welec,wstrain,wtor,wtor_d,wang,wscloc,
+     &    wcorr,wcorr4,wcorr5,wcorr6,wsccor,wel_loc,wturn3,wturn4,
+     &    wturn6,wvdwpp,wbond,weights(max_ene),
+     &    scal14,cutoff_corr,delt_corr,r0_corr,ipot,n_ene_comp
+      common /potentials/ potname(5)
+      character*3 potname
+C-----------------------------------------------------------------------
+C wlong,welec,wtor,wang,wscloc are the weight of the energy terms 
+C corresponding to side-chain, electrostatic, torsional, valence-angle,
+C and local side-chain terms.
+C
+C IPOT determines which SC...SC interaction potential will be used:
+C 1 - LJ:  2n-n Lennard-Jones
+C 2 - LJK: 2n-n Kihara type (shifted Lennard-Jones) 
+C 3 - BP;  Berne-Pechukas (angular dependence)
+C 4 - GB;  Gay-Berne (angular dependence)
+C 5 - GBV; Gay-Berne-Vorobjev; angularly-dependent Kihara potential
+C------------------------------------------------------------------------

diff --git a/source/cluster/wham/src/include_unres/COMMON.FRAG b/source/cluster/wham/src/include_unres/COMMON.FRAG
new file mode 100644 (file)
index 0000000..ee151f5
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.FRAG
@@ -0,0 +1,5 @@
+      integer nbfrag,bfrag,nhfrag,hfrag,bvar_frag,hvar_frag,nhpb0,
+     & nh310frag,h310frag
+      COMMON /c_frag/ nbfrag,bfrag(4,maxres/3),nhfrag,hfrag(2,maxres/3),
+     & nh310frag,h310frag(2,maxres/2)
+      COMMON /frag/ bvar_frag(mxio,6),hvar_frag(mxio,3)

diff --git a/source/cluster/wham/src/include_unres/COMMON.GEO b/source/cluster/wham/src/include_unres/COMMON.GEO
new file mode 100644 (file)
index 0000000..8cfbbde
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.GEO
@@ -0,0 +1,2 @@
+      double precision pi,dwapi,pipol,pi3,dwapi3,deg2rad,rad2deg,angmin
+      common /geo/ pi,dwapi,pipol,pi3,dwapi3,deg2rad,rad2deg,angmin

diff --git a/source/cluster/wham/src/include_unres/COMMON.HEADER b/source/cluster/wham/src/include_unres/COMMON.HEADER
new file mode 100644 (file)
index 0000000..7154812
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.HEADER
@@ -0,0 +1,2 @@
+      character*80 titel
+      common /header/ titel

diff --git a/source/cluster/wham/src/include_unres/COMMON.INTERACT b/source/cluster/wham/src/include_unres/COMMON.INTERACT
new file mode 100644 (file)
index 0000000..d4a58b5
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.INTERACT
@@ -0,0 +1,26 @@
+      double precision aa,bb,augm,aad,bad,app,bpp,ael6,ael3
+      integer nnt,nct,nint_gr,istart,iend,itype,itel,itypro,ielstart,
+     & ielend,nscp_gr,iscpstart,iscpend,iatsc_s,iatsc_e,iatel_s,
+     & iatel_e,iatscp_s,iatscp_e,ispp,iscp,expon,expon2
+      common /interact/aa(ntyp,ntyp),bb(ntyp,ntyp),augm(ntyp,ntyp),
+     & aad(ntyp,2),bad(ntyp,2),app(2,2),bpp(2,2),ael6(2,2),ael3(2,2),
+     & expon,expon2,nnt,nct,nint_gr(maxres),istart(maxres,maxint_gr),
+     & iend(maxres,maxint_gr),itype(maxres),itel(maxres),itypro,
+     & ielstart(maxres),ielend(maxres),nscp_gr(maxres),
+     & iscpstart(maxres,maxint_gr),iscpend(maxres,maxint_gr),
+     & iatsc_s,iatsc_e,iatel_s,iatel_e,iatscp_s,iatscp_e,ispp,iscp
+C 12/1/95 Array EPS included in the COMMON block.
+      double precision eps,sigma,sigmaii,rs0,chi,chip,chip0,alp,signa0,
+     & sigii,sigma0,rr0,r0,r0e,r0d,rpp,epp,elpp6,elpp3,eps_scp,rscp,
+     & eps_orig
+      common /body/eps(ntyp,ntyp),sigma(ntyp,ntyp),sigmaii(ntyp,ntyp),
+     & rs0(ntyp,ntyp),chi(ntyp,ntyp),chip(ntyp),chip0(ntyp),alp(ntyp),
+     & sigma0(ntyp),sigii(ntyp),rr0(ntyp),r0(ntyp,ntyp),r0e(ntyp,ntyp),
+     & r0d(ntyp,2),rpp(2,2),epp(2,2),elpp6(2,2),elpp3(2,2),
+     & eps_scp(20,2),rscp(20,2),eps_orig(ntyp,ntyp)
+c 12/5/03 modified 09/18/03 Bond stretching parameters.
+      double precision vbldp0,vbldsc0,akp,aksc,abond0,distchainmax
+      integer nbondterm
+      common /stretch/ vbldp0,vbldsc0(maxbondterm,ntyp),akp,
+     & aksc(maxbondterm,ntyp),abond0(maxbondterm,ntyp),
+     & distchainmax,nbondterm(ntyp)

diff --git a/source/cluster/wham/src/include_unres/COMMON.LOCAL b/source/cluster/wham/src/include_unres/COMMON.LOCAL
new file mode 100644 (file)
index 0000000..1d0f3aa
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.LOCAL
@@ -0,0 +1,36 @@
+      double precision a0thet,athet,bthet,polthet,gthet,theta0,sig0,
+     & sigc0,dsc,dsc_inv,bsc,censc,gaussc,dsc0,vbl,vblinv,vblinv2,
+     & vbl_cis,vbl0,vbld_inv
+      integer nlob,loc_start,loc_end,ithet_start,ithet_end,
+     & iphi_start,iphi_end
+C Parameters of the virtual-bond-angle probability distribution
+      common /thetas/ a0thet(ntyp),athet(2,ntyp),bthet(2,ntyp),
+     &  polthet(0:3,ntyp),gthet(3,ntyp),theta0(ntyp),sig0(ntyp),
+     &  sigc0(ntyp)
+C Parameters of ab initio-derived potential of virtual-bond-angle bending
+      integer nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,ndouble,
+     & ithetyp(ntyp1),nntheterm
+      double precision aa0thet(maxthetyp1,maxthetyp1,maxthetyp1),
+     & aathet(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1),
+     & bbthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ccthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ddthet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & eethet(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1,maxthetyp1),
+     & ffthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
+     &  maxthetyp1),
+     & ggthet(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
+     &  maxthetyp1)
+      common /theta_abinitio/aa0thet,aathet,bbthet,ccthet,ddthet,eethet,
+     &  ffthet,
+     &  ggthet,ithetyp,nthetyp,ntheterm,ntheterm2,ntheterm3,nsingle,
+     &  ndouble,nntheterm
+C Parameters of the side-chain probability distribution
+      common /sclocal/ dsc(ntyp1),dsc_inv(ntyp1),bsc(maxlob,ntyp),
+     &  censc(3,maxlob,ntyp),gaussc(3,3,maxlob,ntyp),dsc0(ntyp1),
+     &    nlob(ntyp1)
+C Virtual-bond lenghts
+      common /peptbond/ vbl,vblinv,vblinv2,vbl_cis,vbl0
+      common /indices/ loc_start,loc_end,ithet_start,ithet_end,
+     &                 iphi_start,iphi_end
+C Inverses of the actual virtual bond lengths
+      common /invlen/ vbld_inv(maxres2)

diff --git a/source/cluster/wham/src/include_unres/COMMON.MINIM b/source/cluster/wham/src/include_unres/COMMON.MINIM
new file mode 100644 (file)
index 0000000..b231b47
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.MINIM
@@ -0,0 +1,3 @@
+      double precision tolf,rtolf
+      integer maxfun,maxmin 
+      common /minimm/ tolf,rtolf,maxfun,maxmin

diff --git a/source/cluster/wham/src/include_unres/COMMON.NAMES b/source/cluster/wham/src/include_unres/COMMON.NAMES
new file mode 100644 (file)
index 0000000..a266339
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.NAMES
@@ -0,0 +1,7 @@
+      character*3 restyp
+      character*1 onelet
+      common /names/ restyp(ntyp+1),onelet(ntyp+1)
+      character*10 ename,wname
+      integer nprint_ene,print_order
+      common /namterm/ ename(max_ene),wname(max_ene),nprint_ene,
+     &   print_order(max_ene)

diff --git a/source/cluster/wham/src/include_unres/COMMON.SBRIDGE b/source/cluster/wham/src/include_unres/COMMON.SBRIDGE
new file mode 100644 (file)
index 0000000..5c87412
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.SBRIDGE
@@ -0,0 +1,9 @@
+      double precision ebr,d0cm,akcm,akth,akct,v1ss,v2ss,v3ss,dhpb,
+     & forcon,weidis
+      integer ns,nss,nfree,iss,ihpb,jhpb,nhpb,link_start,link_end
+      common /sbridge/ ebr,d0cm,akcm,akth,akct,v1ss,v2ss,v3ss,ns,nss,
+     &  nfree,iss(maxss)
+      common /links/ dhpb(maxdim),forcon(maxdim),ihpb(maxdim),
+     & jhpb(maxdim),nhpb
+      common /restraints/ weidis
+      common /links_split/ link_start,link_end

diff --git a/source/cluster/wham/src/include_unres/COMMON.SCCOR b/source/cluster/wham/src/include_unres/COMMON.SCCOR
new file mode 100644 (file)
index 0000000..5217de7
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.SCCOR
@@ -0,0 +1,6 @@
+C Parameters of the SCCOR term
+      double precision v1sccor,v2sccor
+      integer nterm_sccor
+      common/torsion/v1sccor(maxterm_sccor,20,20),
+     &    v2sccor(maxterm_sccor,20,20),
+     &    nterm_sccor

diff --git a/source/cluster/wham/src/include_unres/COMMON.SCROT b/source/cluster/wham/src/include_unres/COMMON.SCROT
new file mode 100644 (file)
index 0000000..2da7b8f
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.SCROT
@@ -0,0 +1,3 @@
+C Parameters of the SC rotamers (local) term
+      double precision sc_parmin
+      common/scrot/sc_parmin(maxsccoef,20)

diff --git a/source/cluster/wham/src/include_unres/COMMON.TIME1 b/source/cluster/wham/src/include_unres/COMMON.TIME1
new file mode 100644 (file)
index 0000000..f7f4849
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.TIME1
@@ -0,0 +1,13 @@
+      DOUBLE PRECISION BATIME,TIMLIM,STIME,PREVTIM,SAFETY,RSTIME
+      INTEGER WhatsUp,ndelta
+      logical cutoffviol,cutoffeval,llocal
+      COMMON/TIME1/STIME,TIMLIM,BATIME,PREVTIM,SAFETY,RSTIME
+      COMMON/STOPTIM/WhatsUp,ndelta,cutoffviol,cutoffeval,llocal
+      double precision t_func,t_grad,t_fhel,t_fbet,t_ghel,t_gbet,t_viol,
+     & t_gviol,t_map,t_alamap,t_betamap
+      integer n_func,n_grad,n_fhel,n_fbet,n_ghel,n_gbet,n_viol,n_gviol,
+     & n_map,n_alamap,n_betamap
+      common /timing/ t_func,t_grad,t_fhel,t_fbet,t_ghel,t_gbet,t_viol,
+     & t_gviol,t_map,t_alamap,t_betamap,
+     & n_func,n_grad,n_fhel,n_fbet,n_ghel,n_gbet,n_viol,n_gviol,
+     & n_map,n_alamap,n_betamap

diff --git a/source/cluster/wham/src/include_unres/COMMON.TORCNSTR b/source/cluster/wham/src/include_unres/COMMON.TORCNSTR
new file mode 100644 (file)
index 0000000..f8fc3a1
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.TORCNSTR
@@ -0,0 +1,5 @@
+      integer ndih_constr,idih_constr(maxdih_constr)
+      integer ndih_nconstr,idih_nconstr(maxdih_constr)
+      double precision phi0(maxdih_constr),drange(maxdih_constr),ftors
+      common /torcnstr/ phi0,drange,ftors,ndih_constr,idih_constr,
+     &                  ndih_nconstr,idih_nconstr

diff --git a/source/cluster/wham/src/include_unres/COMMON.TORSION b/source/cluster/wham/src/include_unres/COMMON.TORSION
new file mode 100644 (file)
index 0000000..55cc7f4
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.TORSION
@@ -0,0 +1,25 @@
+C Torsional constants of the rotation about virtual-bond dihedral angles
+      double precision v1,v2,vlor1,vlor2,vlor3,v0
+      integer itortyp,ntortyp,nterm,nlor,nterm_old
+      common/torsion/v0(maxtor,maxtor),v1(maxterm,maxtor,maxtor),
+     &    v2(maxterm,maxtor,maxtor),vlor1(maxlor,maxtor,maxtor),
+     &    vlor2(maxlor,maxtor,maxtor),vlor3(maxlor,maxtor,maxtor),
+     &    itortyp(ntyp),ntortyp,nterm(maxtor,maxtor),
+     &    nlor(maxtor,maxtor),nterm_old
+C 6/23/01 - constants for double torsionals
+      double precision v1c,v1s,v2c,v2s
+      integer ntermd_1,ntermd_2
+      common /torsiond/ v1c(2,maxtermd_1,maxtor,maxtor,maxtor),
+     &    v1s(2,maxtermd_1,maxtor,maxtor,maxtor),
+     &    v2c(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
+     &    v2s(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor),
+     &    ntermd_1(maxtor,maxtor,maxtor),ntermd_2(maxtor,maxtor,maxtor)
+C 9/18/99 - added Fourier coeffficients of the expansion of local energy 
+C           surface
+      double precision b1,b2,cc,dd,ee,ctilde,dtilde,b1tilde
+      integer nloctyp
+      common/fourier/ b1(2,maxtor),b2(2,maxtor),cc(2,2,maxtor),
+     &    dd(2,2,maxtor),ee(2,2,maxtor),ctilde(2,2,maxtor),
+     &    dtilde(2,2,maxtor),b1tilde(2,maxtor),nloctyp
+      double precision b
+      common /fourier1/ b(13,maxtor)

diff --git a/source/cluster/wham/src/include_unres/COMMON.VECTORS b/source/cluster/wham/src/include_unres/COMMON.VECTORS
new file mode 100644 (file)
index 0000000..d880c24
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.VECTORS
@@ -0,0 +1,3 @@
+      common /vectors/ uy(3,maxres),uz(3,maxres),
+     &          uygrad(3,3,2,maxres),uzgrad(3,3,2,maxres)
+

diff --git a/source/cluster/wham/src/include_unres/COMMON.WEIGHTS b/source/cluster/wham/src/include_unres/COMMON.WEIGHTS
new file mode 100644 (file)
index 0000000..d7e6e23
--- /dev/null
+++ b/source/cluster/wham/src/include_unres/COMMON.WEIGHTS
@@ -0,0 +1,22 @@
+      double precision ww,ww0,ww_low,ww_up,ww_orig,x_orig,
+     &  epp_low,epp_up,rpp_low,rpp_up,elpp6_low,elpp6_up,elpp3_low,
+     &  elpp3_up,b_low,b_up,epscp_low,epscp_up,rscp_low,rscp_up,
+     &  x_up,x_low,xm,xm1,xm2,epss_low,epss_up,epsp_low,epsp_up
+      integer imask,mask_elec,mask_fourier,mod_fourier,mask_scp,indz,iw,
+     &  nsingle_sc,npair_sc,ityp_ssc,ityp_psc
+      logical mod_other_params,mod_elec,mod_scp,mod_side
+      common /chujec/ ww(max_ene),ww0(max_ene),ww_low(max_ene),
+     &  ww_up(max_ene),ww_orig(max_ene),x_orig(max_paropt),
+     &  epp_low(2,2),epp_up(2,2),rpp_low(2,2),rpp_up(2,2),
+     &  elpp6_low(2,2),elpp6_up(2,2),elpp3_low(2,2),elpp3_up(2,2),
+     &  b_low(13,3),b_up(13,3),x_up(max_paropt),x_low(max_paropt),
+     &  epscp_low(0:20,2),epscp_up(0:20,2),rscp_low(0:20,2),
+     &  rscp_up(0:20,2),epss_low(ntyp),epss_up(ntyp),epsp_low(nntyp),
+     &  epsp_up(nntyp),
+     &  xm(max_paropt,0:maxprot),xm1(max_paropt,0:maxprot),
+     &  xm2(max_paropt,0:maxprot),
+     &  imask(max_ene),nsingle_sc,npair_sc,ityp_ssc(ntyp),
+     &  ityp_psc(2,nntyp),mask_elec(2,2,4),
+     &  mask_fourier(13,3),
+     &  mask_scp(0:20,2,2),mod_other_params,mod_fourier(0:3),
+     &  mod_elec,mod_scp,mod_side,indz(maxbatch+1,maxprot),iw(max_ene) 

diff --git a/source/cluster/wham/src/map b/source/cluster/wham/src/map
deleted file mode 100644 (file)
index 9c88872..0000000
--- a/source/cluster/wham/src/map
+++ /dev/null
@@ -1,4716 +0,0 @@
-pgf90 -C -g  -c -I. -I../src_MD_T -I../src_MD -I/users/adam/MEY_MD/src -I/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/include -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI -C -g  -c -I. -I../src_MD_T -I../src_MD -I/users/adam/MEY_MD/src -I/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/include initialize_p.F
-pgf90 -C -g  main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o setup_var.o -L/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib -lmpich -lpmpich -m -o /users/adam/ZSCOREZ/bin/unres_clustMD_MPI
-Archive member included because of file (symbol)
-
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abortf.o)
-                              work_partition.o (mpi_abort_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgatherf.o)
-                              read_coords.o (mpi_allgather_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcastf.o)
-                              probabl.o (mpi_bcast_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rankf.o)
-                              main_clust.o (mpi_comm_rank_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_sizef.o)
-                              main_clust.o (mpi_comm_size_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o)
-                              main_clust.o (mpi_dup_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalizef.o)
-                              main_clust.o (mpi_finalize_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gathervf.o)
-                              main_clust.o (mpi_gatherv_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o)
-                              main_clust.o (mpi_init_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(null_copyfnf.o)
-                              main_clust.o (mpi_null_copy_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(null_del_fnf.o)
-                              main_clust.o (mpi_null_delete_fn_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recvf.o)
-                              read_coords.o (mpi_recv_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendf.o)
-                              read_coords.o (mpi_send_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtickf.o)
-                              main_clust.o (mpi_wtick_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtimef.o)
-                              main_clust.o (mpi_wtime_)
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-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (mpir_iargc_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o) (MPIR_F_TRUE)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfcmn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (mpir_init_fcm_)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (MPIR_Error)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendf.o) (MPI_Send)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recv.o)
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-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPIR_Free_perm_type)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abort.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(abortf.o) (MPI_Abort)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(init.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initf.o) (MPI_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(init.o) (MPIR_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalizef.o) (MPI_Finalize)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errorstring.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o) (MPI_Error_string)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Init_dtes)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errfree.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Errhandler_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtime.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtimef.o) (MPI_Wtime)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtick.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtickf.o) (MPI_Wtick)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(nerrmsg.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o) (MPIR_Err_setmsg)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(msgqdllloc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Msg_queue_export)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(util_hbt.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_HBT_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(ptrcvt.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_PointerPerm)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (MPIR_BsendRelease)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyval_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Keyval_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_getval.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Attr_get)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Attr_create_tree)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(attr_putval.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initfutil.o) (MPI_Attr_put)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Group_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(group_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_CreateGroup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Comm_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rank.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_rankf.o) (MPI_Comm_rank)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_name_put.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPI_Comm_set_name)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_sizef.o) (MPI_Comm_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Comm_make_coll)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_free.o) (MPIR_Context_dealloc)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fnf.o) (MPIR_dup_fn)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(barrier.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Barrier)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcast.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcastf.o) (MPI_Bcast)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gatherv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gathervf.o) (MPI_Gatherv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgather.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgatherf.o) (MPI_Allgather)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allreduce.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o) (PMPI_Allreduce)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_MAXF)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(opfree.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (PMPI_Op_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(oputil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Op_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(inter_fns.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPIR_inter_collops)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPIR_intra_collops)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (MPIR_intra_Scan)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Topology_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(statusc2f.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recvf.o) (MPI_Status_c2f)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (p4_proc_info)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (bm_start)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_rm.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (rm_start)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_util.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (net_setup_anon_listener)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (create_remote_processes)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_conn.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (handle_connection_interrupt)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_sr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (socket_close_conn)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_list.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (listener)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o) (start_slave)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(usc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (usc_init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(send.o) (MPID_SendDatatype)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(recv.o) (MPID_RecvDatatype)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_Msg_rep)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2mpack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_PackMessage)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bswap2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o) (MPID_Type_swap_copy)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o) (MPID_DEBUG_FILE)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o) (MPID_CH_InitMsgPass)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Init_hetero)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wtick.o) (MPID_CH_Wtick)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_P4_Init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(finalize.o) (MPID_Dump_queues)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_ArgSqueeze)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPID_SBinit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (MPID_Process_group_init)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_PacketFlowSetup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_FinishCancelPackets)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Isend)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Irecv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Wait)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Test)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Cancel)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Waitall)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPI_Sendrecv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o) (PMPI_Testall)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Get_count)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_commit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_contiguous)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o) (MPI_Type_extent)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_free)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_indexed)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o) (MPI_Type_lb)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Type_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o) (MPI_Type_struct)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Pack_size)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bsendutil2.o) (MPI_Pack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Unpack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initutil.o) (MPIR_Breakpoint)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o) (MPI_Errhandler_set)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o) (MPIR_Unpack)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o) (MPI_Keyval_create)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o) (PMPI_Reduce)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_global)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (MD_initmem)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_error)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (process_args)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o) (alloc_local_bm)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (p4_dprintf)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o) (p4_alloc_procgroup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (p4_recv)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o) (p4_moninit)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o) (p4_broadcastx)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o) (MPID_IrecvContig)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o) (MPID_SendContig)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o) (MPID_SendCancel)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Eagerb_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Rndvb_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Check_incoming)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o) (MPID_CH_Short_setup)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o) (MPID_DebugFlow)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o) (PMPI_Type_hindexed)
-/usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o) (MPIR_Pack_Hvector)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o)
-                              main_clust.o (pgf90io_close)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o)
-                              readpdb.o (pghpfio_fmt_read)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o)
-                              main_clust.o (pgf90io_encode_fmt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (__hpfio_errinit)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o)
-                              readrtns.o (pgf90io_fmtr_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtwrite.o)
-                              main_clust.o (pgf90io_fmtw_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o)
-                              /usr/pgi/linux86-64/6.0/lib/f90main.o (pgf90_exit)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o)
-                              readrtns.o (pgf90io_ldr_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o)
-                              main_clust.o (pgf90io_ldw_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o)
-                              main_clust.o (pgf90io_open)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(pgifiodf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (pghpfio)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rewind.o)
-                              misc.o (pgf90io_rewind)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(unf.o)
-                              main_clust.o (pgf90io_unf_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(utils.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o) (__hpfio_alloc_fcb)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o) (__hpf_atoxi64)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o)
-                              parmread.o (pgf90_alloc)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o)
-                              main_clust.o (pghpf_function_entry)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o) (__hpf_status_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o) (__hpfio_main)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o) (__hpf_abort)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o) (__hpf_malloc_without_abort)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o)
-                              main_clust.o (pgf90_subchk)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o)
-                              main_clust.o (pgf90_template1)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_rrecvl)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(version.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_print_version)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(xfer.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o) (__hpf_getgbuf)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(stat_linux.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_setarg)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo_i8.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__f90_allo_term_i8)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(assign.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o) (__hpfio_assign)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o) (__f90io_conv_buf)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtgetnum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o) (__hpfio_getnum)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(fpcvt.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o) (__hpfio_ecvt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(atol.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_strtol)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(defs.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o) (f90DummyGenBlockPtr)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o) (__hpf_describe_replication)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(comm.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o) (pghpf_comm_start)
-/usr/pgi/linux86-64/6.0/lib/libpgf90.a(copy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(dist.o) (pghpf_comm_copy)
-/usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(init_rpm1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_abortx)
-/usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(xfer_rpm1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o) (__hpf_erecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cnfg.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o) (__hpfio_cnfg_)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(bcopy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o) (__hpf_bcopy)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(bcopys.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o) (__hpf_bcopysl)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(buffer.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__hpf_zopen)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(chn1t1.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(copy.o) (__hpf_chn_1to1)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(const.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o) (__hpf_size_of)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cprof.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_prof_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(cprof2.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_prof_arecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(genlist.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf902.a(chn1t1.o) (__hpf_initndx)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(hand.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a(init_rpm1.o) (__hpf_sethand)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(stat.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_stat_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(trace.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_trac_init)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(trace2.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o) (__hpf_trac_arecv)
-/usr/pgi/linux86-64/6.0/lib/libpgf902.a(xfer_heap_dum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o) (__hpf_sbrk)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(dacos.o)
-                              arcos.o (__mth_i_dacos)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(ftncharsup.o)
-                              readrtns.o (ftn_str_copy)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(flush3f.o)
-                              main_clust.o (flush_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getenv3f.o)
-                              readrtns.o (getenv_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(fdate3f.o)
-                              geomout.o (fdate_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getarg3f.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(farg.o) (getarg_)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(cvt.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fpcvt.o) (ecvt)
-/usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(utils3f.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(getenv3f.o) (__fstr2cstr)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o) (__fio_eq_str)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(pgifiodf.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (pgi_fio)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (__fio_error)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(ftnexit.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o) (ftn_exit)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(open.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(utils.o) (__fio_open)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(close.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(ftnexit.o) (__fio_close)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(cnfg.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(open.o) (__fio_cnfg_)
-/usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(pgdummy.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a(error.o) (__PC_DOS)
-/usr/lib64/libc_nonshared.a(elf-init.oS)
-                              /usr/lib64/crt1.o (__libc_csu_init)
-/usr/lib64/libc_nonshared.a(atexit.oS)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (atexit)
-/usr/pgi/linux86-64/6.0/lib/libnspgc.a(pgdbg_utils.o)
-                              main_clust.o (__pgdbg_stub)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(mthi64.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o) (__utl_i_add64)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dpowi.o)
-                              parmread.o (__mth_i_dpowi)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dfloatuk.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o) (__mth_i_dfloatuk)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dint.o)
-                              timing.o (__mth_i_dint)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgstdinit.o)
-                              /usr/pgi/linux86-64/6.0/lib/f90main.o (__pgio_environ)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(mpmalloc.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a(ftncharsup.o) (_mp_malloc)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(rtcrit.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o) (_mp_bcs_stdio)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgtempnam.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf902.a(cnfg.o) (__pgio_tempnam)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(va_arg.o)
-                              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(mperror.o) (__builtin_va_gparg1)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(pgargs.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o) (__pgio_get_argv)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dsincosp.o)
-                              chainbuild.o (__mth_i_dsin)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(dtan.o)
-                              energy_p_new.o (__mth_i_dtan)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(datan.o)
-                              initialize_p.o (__mth_i_datan)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(fastmath.o)
-                              srtclust.o (__fmth_i_dlog)
-/usr/pgi/linux86-64/6.0/lib/libpgc.a(crit_dum.o)
-                              /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o) (_mp_p)
-/usr/lib64/libc_nonshared.a(fstat.oS)
-                              /usr/pgi/linux86-64/6.0/lib/libpgc.a(pgstdinit.o) (fstat)
-
-Allocating common symbols
-Common symbol       size              file
-
-__P4LEN             0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-MPIR_I_DOUBLE       0xa8              /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-fnames_             0xf03             main_clust.o
-torsion_            0xfd8             initialize_p.o
-__hpf_zmem          0x4               /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-MPI_FLOAT_INT_var   0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(initdte.o)
-MPIR_debug_cl       0x8               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-total_pack_unacked  0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-contacts_           0xbb88            readrtns.o
-contacts_hb_        0xd973f8          readrtns.o
-stoptim_            0x4               main_clust.o
-execer_mynodenum    0x4               /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
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-Linker script and memory map
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-LOAD /usr/lib64/crt1.o
-LOAD /usr/lib64/crti.o
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtbegin.o
-LOAD /usr/pgi/linux86-64/6.0/lib/f90main.o
-LOAD main_clust.o
-LOAD arcos.o
-LOAD cartprint.o
-LOAD chainbuild.o
-LOAD convert.o
-LOAD initialize_p.o
-LOAD matmult.o
-LOAD readrtns.o
-LOAD pinorm.o
-LOAD rescode.o
-LOAD intcor.o
-LOAD timing.o
-LOAD misc.o
-LOAD geomout.o
-LOAD readpdb.o
-LOAD read_coords.o
-LOAD parmread.o
-LOAD probabl.o
-LOAD fitsq.o
-LOAD hc.o
-LOAD track.o
-LOAD wrtclust.o
-LOAD srtclust.o
-LOAD noyes.o
-LOAD contact.o
-LOAD printmat.o
-LOAD int_from_cart1.o
-LOAD energy_p_new.o
-LOAD icant.o
-LOAD proc_proc.o
-LOAD work_partition.o
-LOAD setup_var.o
-LOAD /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a
-LOAD /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libpmpich.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90_rpm1.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf902.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgf90rtl.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgftnrtl.a
-LOAD /usr/lib64/libc.so
-START GROUP
-LOAD /lib64/libc.so.6
-LOAD /usr/lib64/libc_nonshared.a
-END GROUP
-LOAD /usr/pgi/linux86-64/6.0/lib/libnspgc.a
-LOAD /usr/pgi/linux86-64/6.0/lib/libpgc.a
-LOAD /usr/lib64/libm.so
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/libgcc.a
-LOAD /usr/lib64/libc.so
-START GROUP
-LOAD /lib64/libc.so.6
-LOAD /usr/lib64/libc_nonshared.a
-END GROUP
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/libgcc.a
-LOAD /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtend.o
-LOAD /usr/lib64/crtn.o
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- *(.init)
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- .init          0x0000000000402a9e        0x5 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
- .init          0x0000000000402aa3        0x5 /usr/lib/gcc/x86_64-redhat-linux/3.4.2/crtend.o
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- .text          0x000000000050cdb0      0x604 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(comm_util.o)
-                0x000000000050cf40                MPIR_Comm_N2_prev
-                0x000000000050d2d0                MPIR_Sort_split_table
-                0x000000000050d210                MPIR_Comm_remember
-                0x000000000050d290                MPIR_Comm_collops_init
-                0x000000000050cdb0                MPIR_Comm_make_coll
-                0x000000000050d180                MPIR_Comm_init
-                0x000000000050d080                MPIR_Intercomm_high
-                0x000000000050d240                MPIR_Comm_forget
-                0x000000000050cf60                MPIR_Dump_comm
- *fill*         0x000000000050d3b4        0xc 90909090
- .text          0x000000000050d3c0      0x138 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(context_util.o)
-                0x000000000050d3c0                MPIR_Context_alloc
-                0x000000000050d4f0                MPIR_Context_dealloc
- *fill*         0x000000000050d4f8        0x8 90909090
- .text          0x000000000050d500       0x12 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dup_fn.o)
-                0x000000000050d500                MPIR_dup_fn
- *fill*         0x000000000050d512        0xe 90909090
- .text          0x000000000050d520      0x11c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(barrier.o)
-                0x000000000050d520                PMPI_Barrier
-                0x000000000050d520                MPI_Barrier
- *fill*         0x000000000050d63c        0x4 90909090
- .text          0x000000000050d640      0x2bf /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bcast.o)
-                0x000000000050d640                PMPI_Bcast
-                0x000000000050d640                MPI_Bcast
- *fill*         0x000000000050d8ff        0x1 90909090
- .text          0x000000000050d900      0x395 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(gatherv.o)
-                0x000000000050d900                MPI_Gatherv
-                0x000000000050d900                PMPI_Gatherv
- *fill*         0x000000000050dc95        0xb 90909090
- .text          0x000000000050dca0      0x3a5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allgather.o)
-                0x000000000050dca0                MPI_Allgather
-                0x000000000050dca0                PMPI_Allgather
- *fill*         0x000000000050e045        0xb 90909090
- .text          0x000000000050e050      0x2cf /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(allreduce.o)
-                0x000000000050e050                PMPI_Allreduce
-                0x000000000050e050                MPI_Allreduce
- *fill*         0x000000000050e31f        0x1 90909090
- .text          0x000000000050e320     0x54f0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(global_ops.o)
-                0x0000000000510ed0                MPIR_LXOR
-                0x000000000050ef30                MPIR_SUM
-                0x0000000000510b10                MPIR_BOR
-                0x0000000000510450                MPIR_LOR
-                0x000000000050e920                MPIR_MINF
-                0x000000000050f450                MPIR_PROD
-                0x0000000000511b80                MPIR_MAXLOC
-                0x000000000050e320                MPIR_MAXF
-                0x0000000000510090                MPIR_BAND
-                0x00000000005117c0                MPIR_BXOR
-                0x00000000005129c0                MPIR_MINLOC
-                0x000000000050f9d0                MPIR_LAND
- .text          0x0000000000513810      0x159 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(opfree.o)
-                0x0000000000513810                PMPI_Op_free
-                0x0000000000513810                MPI_Op_free
- *fill*         0x0000000000513969        0x7 90909090
- .text          0x0000000000513970       0x91 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(oputil.o)
-                0x0000000000513970                MPIR_Op_setup
- *fill*         0x0000000000513a01        0xf 90909090
- .text          0x0000000000513a10      0x2cd /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(inter_fns.o)
- *fill*         0x0000000000513cdd        0x3 90909090
- .text          0x0000000000513ce0     0x5e67 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_fns_new.o)
- *fill*         0x0000000000519b47        0x9 90909090
- .text          0x0000000000519b50      0x400 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(intra_scan.o)
-                0x0000000000519b50                MPIR_intra_Scan
- .text          0x0000000000519f50      0x335 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(topo_util.o)
-                0x000000000051a270                MPIR_Topology_finalize
-                0x000000000051a240                MPIR_Topology_init
-                0x0000000000519fa0                MPIR_Topology_copy_fn
-                0x0000000000519f80                MPIR_Topology_Free
-                0x0000000000519f50                MPIR_Topology_Init
-                0x000000000051a1e0                MPIR_Topology_delete_fn
- *fill*         0x000000000051a285        0xb 90909090
- .text          0x000000000051a290       0x8c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(statusc2f.o)
-                0x000000000051a290                PMPI_Status_c2f
-                0x000000000051a290                MPI_Status_c2f
- *fill*         0x000000000051a31c        0x4 90909090
- .text          0x000000000051a320     0x1bf0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_utils.o)
-                0x000000000051ad60                in_same_cluster
-                0x000000000051a670                p4_get_cluster_masters
-                0x000000000051a6f0                p4_get_my_id_from_proc
-                0x000000000051a320                p4_post_init
-                0x000000000051bb00                get_qualified_hostname
-                0x000000000051a630                p4_global_barrier
-                0x000000000051a360                p4_machine_type
-                0x000000000051acb0                p4_get_my_cluster_id
-                0x000000000051a5d0                p4_num_cluster_ids
-                0x000000000051bbc0                same_data_representation
-                0x000000000051ada0                p4_cluster_shmem_sync
-                0x000000000051a5c0                p4_shfree
-                0x000000000051a570                p4_shmalloc
-                0x000000000051bca0                put_execer_port
-                0x000000000051ad00                p4_am_i_cluster_master
-                0x000000000051b670                fork_p4
-                0x000000000051ac90                p4_get_my_id
-                0x000000000051a5f0                p4_num_total_ids
-                0x000000000051b750                zap_p4_processes
-                0x000000000051b080                p4_accept_wait_timeout
-                0x000000000051bda0                init_usclock
-                0x000000000051bd90                clean_execer_port
-                0x000000000051ae20                get_pipe
-                0x000000000051ae80                setup_conntab
-                0x000000000051a330                p4_version
-                0x000000000051a6d0                p4_get_cluster_ids
-                0x000000000051a610                p4_num_total_slaves
-                0x000000000051bc20                p4_proc_info
-                0x000000000051a390                p4_initenv
-                0x000000000051b0b0                p4_wait_for_end
-                0x000000000051bdf0                p4_usclock
-                0x000000000051b7d0                zap_remote_p4_processes
- .text          0x000000000051bf10     0x121e /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_bm.o)
-                0x000000000051cef0                send_proc_table
-                0x000000000051c1c0                p4_startup
-                0x000000000051bf10                bm_start
-                0x000000000051c100                p4_create_procgroup
-                0x000000000051cd90                sync_with_remotes
-                0x000000000051c400                create_bm_processes
-                0x000000000051cb10                procgroup_to_proctable
- *fill*         0x000000000051d12e        0x2 90909090
- .text          0x000000000051d130     0x10a5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_rm.o)
-                0x000000000051e010                receive_proc_table
-                0x000000000051d840                create_rm_processes
-                0x000000000051d130                rm_start
- *fill*         0x000000000051e1d5        0xb 90909090
- .text          0x000000000051e1e0     0x1f79 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_util.o)
-                0x000000000051ee20                net_conn_to_listener
-                0x000000000051fbe0                get_inet_addr
-                0x000000000051eaa0                net_accept
-                0x0000000000520120                p4_make_socket_nonblocking
-                0x000000000051f420                net_send
-                0x000000000051fc60                p4_print_sock_params
-                0x000000000051ff70                mpiexec_reopen_stdin
-                0x000000000051fc30                get_inet_addr_str
-                0x000000000051fa60                p4_timein_hostbyname
-                0x000000000051e270                p4_socket_control
-                0x000000000051fef0                dump_sockinfo
-                0x000000000051f5d0                net_send_w
-                0x000000000051e790                net_setup_listener
-                0x000000000051f0e0                net_recv
-                0x000000000051fe70                dump_sockaddr
-                0x000000000051fa80                gethostbyname_p4
-                0x000000000051e900                net_setup_anon_listener
-                0x000000000051f7b0                net_send2
-                0x000000000051fbd0                gethostname_p4
-                0x000000000051e610                net_set_sockbuf_size
-                0x000000000051f950                p4_socket_stat
- *fill*         0x0000000000520159        0x7 90909090
- .text          0x0000000000520160     0x12e2 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_cr.o)
-                0x0000000000520820                p4_accept_sigchild
-                0x0000000000520370                net_slave_info
-                0x00000000005208d0                net_create_slave
-                0x0000000000520780                p4_accept_timeout
-                0x0000000000520160                create_remote_processes
- *fill*         0x0000000000521442        0xe 90909090
- .text          0x0000000000521450      0xb74 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_conn.o)
-                0x00000000005214d0                p4_establish_all_conns
-                0x0000000000521450                p4_has_timedout
-                0x0000000000521570                establish_connection
-                0x0000000000521a40                handle_connection_interrupt
-                0x0000000000521680                request_connection
- *fill*         0x0000000000521fc4        0xc 90909090
- .text          0x0000000000521fd0     0x1a35 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_sr.o)
-                0x00000000005229e0                socket_recv_on_fd
-                0x0000000000522d10                sock_msg_avail_on_fd
-                0x0000000000522670                socket_recv
-                0x0000000000523330                p4_sockets_ready
-                0x0000000000523750                p4_look_for_close
-                0x0000000000523290                shutdown_p4_socks
-                0x0000000000522c60                socket_msgs_available
-                0x0000000000522e90                xdr_recv
-                0x0000000000523140                wait_for_ack
-                0x0000000000523830                p4_wait_for_socket_msg
-                0x0000000000522590                socket_close_conn
-                0x0000000000521fd0                xdr_send
-                0x00000000005231f0                send_ack
-                0x00000000005223c0                socket_send
- *fill*         0x0000000000523a05        0xb 90909090
- .text          0x0000000000523a10      0xcb1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_sock_list.o)
-                0x0000000000524440                net_recv_timeout
-                0x0000000000523a10                listener
- *fill*         0x00000000005246c1        0xf 90909090
- .text          0x00000000005246d0      0xbac /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_secure.o)
-                0x00000000005246d0                start_slave
-                0x00000000005251c0                getpw_ss
- *fill*         0x000000000052527c        0x4 90909090
- .text          0x0000000000525280       0x88 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(usc.o)
-                0x00000000005252d0                usc_MD_clock
-                0x0000000000525280                usc_init
- *fill*         0x0000000000525308        0x8 90909090
- .text          0x0000000000525310      0xc68 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2init.o)
-                0x0000000000525ea0                MPID_SetPktSize
-                0x0000000000525f00                MPID_WaitForCompleteRecv
-                0x0000000000525650                MPID_Abort
-                0x0000000000525310                MPID_Init
-                0x0000000000525f40                MPID_Version_name
-                0x0000000000525ca0                MPID_Complete_pending
-                0x0000000000525ec0                MPID_WaitForCompleteSend
-                0x0000000000525830                MPID_End
-                0x0000000000525990                MPID_DeviceCheck
- *fill*         0x0000000000525f78        0x8 90909090
- .text          0x0000000000525f80      0x348 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hsend.o)
-                0x0000000000525f80                MPID_SendDatatype
-                0x0000000000526100                MPID_IsendDatatype
- *fill*         0x00000000005262c8        0x8 90909090
- .text          0x00000000005262d0      0x57f /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2hrecv.o)
-                0x0000000000526360                MPID_IrecvDatatype
-                0x00000000005262d0                MPID_RecvDatatype
- *fill*         0x000000000052684f        0x1 90909090
- .text          0x0000000000526850      0x4bb /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2pack.o)
-                0x00000000005269e0                MPID_Msg_act
-                0x0000000000526850                MPID_Msg_rep
-                0x0000000000526b70                MPID_Pack
-                0x0000000000526af0                MPID_Pack_size
-                0x0000000000526c90                MPID_Unpack
- *fill*         0x0000000000526d0b        0x5 90909090
- .text          0x0000000000526d10      0x2f5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2mpack.o)
-                0x0000000000526d10                MPID_PackMessage
-                0x0000000000526e10                MPID_PackMessageFree
-                0x0000000000526e50                MPID_UnpackMessageSetup
-                0x0000000000526ed0                MPID_UnpackMessageComplete
- *fill*         0x0000000000527005        0xb 90909090
- .text          0x0000000000527010     0x13e5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(bswap2.o)
-                0x0000000000527890                MPID_Mem_XDR_ByteDecode
-                0x0000000000527e20                MPID_Type_XDR_decode
-                0x00000000005272f0                MPID_Type_swap_inplace
-                0x0000000000527460                MPID_Mem_convert_len
-                0x00000000005274b0                MPID_Mem_XDR_Len
-                0x0000000000527010                MPID_BSwap_N_inplace
-                0x0000000000527a90                MPID_Type_XDR_encode
-                0x0000000000527950                MPID_Mem_XDR_Decode_Logical
-                0x0000000000527670                MPID_Mem_XDR_Encode_Logical
-                0x0000000000527500                MPID_Mem_XDR_Encode
-                0x0000000000527120                MPID_Type_swap_copy
-                0x00000000005274c0                MPID_Mem_XDR_Init
-                0x00000000005274e0                MPID_Mem_XDR_Free
-                0x00000000005275d0                MPID_Mem_XDR_ByteEncode
-                0x0000000000527770                MPID_Mem_XDR_Decode
-                0x00000000005270b0                MPID_BSwap_N_copy
- *fill*         0x00000000005283f5        0xb 90909090
- .text          0x0000000000528400      0xae6 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
-                0x0000000000528d60                MPID_SetMsgDebugFlag
-                0x0000000000528af0                MPID_Print_Send_Handle
-                0x0000000000528da0                MPID_Print_rhandle
-                0x0000000000528880                MPID_Get_print_pkt
-                0x0000000000528400                MPID_Rndv_print_pkt
-                0x0000000000528e10                MPID_Print_Short_data
-                0x00000000005285e0                MPID_Print_packet
-                0x0000000000528b30                MPID_SetDebugFile
-                0x0000000000528890                MPID_Print_mode
-                0x0000000000528a20                MPID_Print_pkt_data
-                0x0000000000528d90                MPID_PrintMsgDebug
-                0x0000000000528d40                MPID_SetDebugFlag
-                0x0000000000528dd0                MPID_Print_shandle
-                0x0000000000528530                MPID_Cancel_print_pkt
-                0x0000000000528c30                MPID_Set_tracefile
-                0x0000000000528d30                MPID_SetSpaceDebugFlag
-                0x0000000000528d80                MPID_GetMsgDebugFlag
- *fill*         0x0000000000528ee6        0xa 90909090
- .text          0x0000000000528ef0      0x4b8 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
-                0x0000000000529130                MPID_CH_Abort
-                0x0000000000528ef0                MPID_CH_InitMsgPass
-                0x00000000005291e0                MPID_CH_End
-                0x0000000000529370                MPID_CH_Version_name
- *fill*         0x00000000005293a8        0x8 90909090
- .text          0x00000000005293b0      0x832 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
-                0x0000000000529a60                MPID_CH_Pkt_unpack
-                0x0000000000529b50                MPID_GetByteOrder
-                0x0000000000529960                MPID_CH_Pkt_pack
-                0x00000000005298a0                MPID_CH_Comm_msgrep
-                0x00000000005293b0                MPID_CH_Init_hetero
-                0x0000000000529b30                MPID_CH_Hetero_free
-                0x0000000000529b90                MPID_ByteSwapInt
- *fill*         0x0000000000529be2        0xe 90909090
- .text          0x0000000000529bf0       0xd0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
-                0x0000000000529bf0                MPID_CH_Wtick
- .text          0x0000000000529cc0      0x51b /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
-                0x000000000052a1a0                MPID_P4_End
-                0x0000000000529cc0                MPID_P4_Init
- *fill*         0x000000000052a1db        0x5 90909090
- .text          0x000000000052a1e0      0x8da /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
-                0x000000000052a790                MPID_Search_unexpected_queue
-                0x000000000052a9e0                MPID_Search_unexpected_queue_and_post
-                0x000000000052a8a0                MPID_Msg_arrived
-                0x000000000052a1e0                MPID_Dump_queues
-                0x000000000052a6e0                MPID_Search_unexpected_for_request
-                0x000000000052aa60                MPID_InitQueue
-                0x000000000052a200                MPID_Dump_queue
-                0x000000000052a5a0                MPID_Dequeue
- *fill*         0x000000000052aaba        0x6 90909090
- .text          0x000000000052aac0      0x632 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
-                0x000000000052aac0                MPID_GetIntParameter
-                0x000000000052aaf0                MPID_ArgSqueeze
-                0x000000000052ab70                MPID_ProcessArgs
- *fill*         0x000000000052b0f2        0xe 90909090
- .text          0x000000000052b100      0x3ee /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
-                0x000000000052b300                MPID_SBdestroy
-                0x000000000052b100                MPID_SBinit
-                0x000000000052b4a0                MPID_SBReleaseAvail
-                0x000000000052b440                MPID_SBDump
-                0x000000000052b290                MPID_SBalloc
-                0x000000000052b1c0                MPID_SBiAllocate
-                0x000000000052b360                MPID_SBrelease
-                0x000000000052b2e0                MPID_SBPrealloc
-                0x000000000052b1a0                MPID_SBfree
-                0x000000000052b3b0                MPID_SBFlush
- *fill*         0x000000000052b4ee        0x2 90909090
- .text          0x000000000052b4f0       0x52 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
-                0x000000000052b4f0                MPID_Process_group_init
- *fill*         0x000000000052b542        0xe 90909090
- .text          0x000000000052b550      0xc0a /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
-                0x000000000052b610                MPID_SendProtoAck
-                0x000000000052bd90                MPID_FinishRecvPackets
-                0x000000000052b550                MPID_PacketFlowSetup
-                0x000000000052b880                MPID_RecvProtoAck
-                0x000000000052c130                MPID_PackDelete
- *fill*         0x000000000052c15a        0x6 90909090
- .text          0x000000000052c160      0x9fc /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
-                0x000000000052c380                MPID_SendCancelOkPacket
-                0x000000000052c160                MPID_SendCancelPacket
-                0x000000000052c900                MPID_FinishCancelPackets
-                0x000000000052c680                MPID_RecvCancelOkPacket
- *fill*         0x000000000052cb5c        0x4 90909090
- .text          0x000000000052cb60      0x3b1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
-                0x000000000052cb60                PMPI_Isend
-                0x000000000052cb60                MPI_Isend
- *fill*         0x000000000052cf11        0xf 90909090
- .text          0x000000000052cf20      0x3c1 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
-                0x000000000052cf20                PMPI_Irecv
-                0x000000000052cf20                MPI_Irecv
- *fill*         0x000000000052d2e1        0xf 90909090
- .text          0x000000000052d2f0       0xad /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
-                0x000000000052d2f0                PMPI_Wait
-                0x000000000052d2f0                MPI_Wait
- *fill*         0x000000000052d39d        0x3 90909090
- .text          0x000000000052d3a0       0xf5 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
-                0x000000000052d3a0                PMPI_Test
-                0x000000000052d3a0                MPI_Test
- *fill*         0x000000000052d495        0xb 90909090
- .text          0x000000000052d4a0      0x269 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
-                0x000000000052d4a0                MPI_Cancel
-                0x000000000052d4a0                PMPI_Cancel
- *fill*         0x000000000052d709        0x7 90909090
- .text          0x000000000052d710      0x5fc /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
-                0x000000000052d710                PMPI_Waitall
-                0x000000000052d710                MPI_Waitall
- *fill*         0x000000000052dd0c        0x4 90909090
- .text          0x000000000052dd10      0x271 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
-                0x000000000052dd10                PMPI_Sendrecv
-                0x000000000052dd10                MPI_Sendrecv
- *fill*         0x000000000052df81        0xf 90909090
- .text          0x000000000052df90      0x5df /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
-                0x000000000052df90                MPI_Testall
-                0x000000000052df90                PMPI_Testall
- *fill*         0x000000000052e56f        0x1 90909090
- .text          0x000000000052e570      0x195 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
-                0x000000000052e570                PMPI_Get_count
-                0x000000000052e570                MPI_Get_count
- *fill*         0x000000000052e705        0xb 90909090
- .text          0x000000000052e710      0x21f /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
-                0x000000000052e710                MPI_Type_commit
-                0x000000000052e710                PMPI_Type_commit
- *fill*         0x000000000052e92f        0x1 90909090
- .text          0x000000000052e930      0x408 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
-                0x000000000052e930                PMPI_Type_contiguous
-                0x000000000052e930                MPI_Type_contiguous
- *fill*         0x000000000052ed38        0x8 90909090
- .text          0x000000000052ed40       0xe3 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
-                0x000000000052ed40                MPI_Type_extent
-                0x000000000052ed40                PMPI_Type_extent
- *fill*         0x000000000052ee23        0xd 90909090
- .text          0x000000000052ee30      0x1c9 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
-                0x000000000052ee30                MPI_Type_free
-                0x000000000052ee30                PMPI_Type_free
- *fill*         0x000000000052eff9        0x7 90909090
- .text          0x000000000052f000      0x382 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
-                0x000000000052f000                MPI_Type_indexed
-                0x000000000052f000                PMPI_Type_indexed
- *fill*         0x000000000052f382        0xe 90909090
- .text          0x000000000052f390      0x137 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
-                0x000000000052f390                MPI_Type_lb
-                0x000000000052f390                PMPI_Type_lb
- *fill*         0x000000000052f4c7        0x9 90909090
- .text          0x000000000052f4d0      0x146 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
-                0x000000000052f4d0                MPI_Type_size
-                0x000000000052f4d0                PMPI_Type_size
- *fill*         0x000000000052f616        0xa 90909090
- .text          0x000000000052f620      0x8fe /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
-                0x000000000052f620                MPI_Type_struct
-                0x000000000052f620                PMPI_Type_struct
- *fill*         0x000000000052ff1e        0x2 90909090
- .text          0x000000000052ff20      0x266 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
-                0x000000000052ff20                PMPI_Pack_size
-                0x000000000052ff20                MPI_Pack_size
- *fill*         0x0000000000530186        0xa 90909090
- .text          0x0000000000530190      0x3af /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
-                0x0000000000530190                PMPI_Pack
-                0x0000000000530190                MPI_Pack
- *fill*         0x000000000053053f        0x1 90909090
- .text          0x0000000000530540      0x393 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
-                0x0000000000530540                PMPI_Unpack
-                0x0000000000530540                MPI_Unpack
- *fill*         0x00000000005308d3        0xd 90909090
- .text          0x00000000005308e0      0x172 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
-                0x00000000005308f0                MPIR_Breakpoint
- *fill*         0x0000000000530a52        0xe 90909090
- .text          0x0000000000530a60      0x1ae /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
-                0x0000000000530a60                PMPI_Errhandler_set
-                0x0000000000530a60                MPI_Errhandler_set
- *fill*         0x0000000000530c0e        0x2 90909090
- .text          0x0000000000530c10      0xe1c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
-                0x00000000005311b0                MPIR_Unpack2
-                0x00000000005318f0                MPIR_PrintDatatypeUnpack
-                0x0000000000531680                MPIR_Elementcnt
-                0x0000000000530c10                MPIR_Unpack
-                0x00000000005317b0                MPIR_Printcontig2a
-                0x0000000000530d00                MPIR_Pack2
-                0x00000000005316f0                MPIR_Printcontig
-                0x0000000000531820                MPIR_PrintDatatypePack
-                0x0000000000531750                MPIR_Printcontig2
- *fill*         0x0000000000531a2c        0x4 90909090
- .text          0x0000000000531a30       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
-                0x0000000000531a30                PMPI_Keyval_create
-                0x0000000000531a30                MPI_Keyval_create
- *fill*         0x0000000000531a44        0xc 90909090
- .text          0x0000000000531a50      0x2df /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
-                0x0000000000531a50                PMPI_Reduce
-                0x0000000000531a50                MPI_Reduce
- *fill*         0x0000000000531d2f        0x1 90909090
- .text          0x0000000000531d30      0x520 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
-                0x0000000000531d40                MD_initenv
-                0x0000000000531d70                MD_shfree
-                0x0000000000531d50                MD_malloc_hint
-                0x0000000000531d60                MD_shmalloc
-                0x0000000000531db0                MD_clock
-                0x0000000000531d80                MD_set_reference_time
-                0x0000000000531e10                data_representation
-                0x0000000000531d30                MD_initmem
- .text          0x0000000000532250      0x6a2 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
-                0x00000000005328e0                p4_set_hard_errors
-                0x0000000000532250                p4_soft_errors
-                0x0000000000532600                trap_sig_errs
-                0x00000000005322a0                p4_error
- *fill*         0x00000000005328f2        0xe 90909090
- .text          0x0000000000532900      0xbfd /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
-                0x0000000000532900                process_args
- *fill*         0x00000000005334fd        0x3 90909090
- .text          0x0000000000533500      0x99d /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
-                0x0000000000533ad0                free_p4_msg
-                0x0000000000533820                init_avail_buffs
-                0x00000000005335f0                alloc_local_rm
-                0x0000000000533930                alloc_p4_msg
-                0x0000000000533500                alloc_local_bm
-                0x0000000000533720                alloc_local_slave
-                0x0000000000533c20                free_avail_buffs
-                0x00000000005336d0                alloc_local_listener
-                0x0000000000533e10                alloc_listener_info
-                0x0000000000533880                p4_print_avail_buffs
-                0x0000000000533cb0                alloc_global
-                0x00000000005337f0                p4_set_avail_buff
- *fill*         0x0000000000533e9d        0x3 90909090
- .text          0x0000000000533ea0      0x7de /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
-                0x0000000000534270                dump_local
-                0x0000000000534130                dump_global
-                0x00000000005343a0                print_conn_type
-                0x0000000000533ff0                p4_dprint_last
-                0x0000000000533ed0                p4_dprintf
-                0x0000000000533ea0                p4_get_dbg_level
-                0x00000000005345c0                dump_conntab
-                0x0000000000534580                dump_tmsg
-                0x0000000000533eb0                p4_set_dbg_level
-                0x00000000005344e0                dump_procgroup
-                0x0000000000534000                p4_dprintfl
-                0x0000000000534480                dump_listener
- *fill*         0x000000000053467e        0x2 90909090
- .text          0x0000000000534680      0x4ad /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
-                0x00000000005346e0                read_procgroup
-                0x0000000000534680                p4_alloc_procgroup
-                0x00000000005349e0                install_in_proctable
- *fill*         0x0000000000534b2d        0x3 90909090
- .text          0x0000000000534b30      0xc01 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
-                0x0000000000535530                initialize_msg_queue
-                0x0000000000535550                alloc_quel
-                0x0000000000535130                queue_p4_message
-                0x00000000005354f0                p4_msg_alloc
-                0x0000000000535430                get_tmsg
-                0x0000000000535660                free_avail_quels
-                0x0000000000535190                send_message
-                0x0000000000534f10                recv_message
-                0x00000000005356d0                p4_yield
-                0x0000000000535510                p4_msg_free
-                0x0000000000534f50                p4_any_messages_available
-                0x0000000000535620                free_quel
-                0x0000000000535000                p4_messages_available
-                0x0000000000534b30                search_p4_queue
-                0x00000000005356e0                p4_waitformsg
-                0x0000000000534d30                p4_recv
- *fill*         0x0000000000535731        0xf 90909090
- .text          0x0000000000535740      0x4d3 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
-                0x00000000005359d0                p4_askfor
-                0x0000000000535b80                p4_progend
-                0x0000000000535940                p4_barrier_init
-                0x0000000000535860                num_in_mon_queue
-                0x0000000000535800                p4_mexit
-                0x0000000000535830                p4_mcontinue
-                0x0000000000535810                p4_mdelay
-                0x0000000000535880                p4_getsub_init
-                0x0000000000535b40                p4_probend
-                0x0000000000535960                p4_barrier
-                0x00000000005358a0                p4_getsubs
-                0x00000000005357f0                p4_menter
-                0x0000000000535af0                p4_update
-                0x00000000005359b0                p4_askfor_init
-                0x0000000000535740                p4_moninit
-                0x0000000000535bc0                p4_create
- *fill*         0x0000000000535c13        0xd 90909090
- .text          0x0000000000535c20     0x1188 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
-                0x0000000000536a30                p4_flt_absmin_op
-                0x0000000000536cc0                p4_int_absmin_op
-                0x0000000000536950                p4_flt_absmax_op
-                0x00000000005364d0                p4_dbl_sum_op
-                0x00000000005365c0                p4_dbl_min_op
-                0x0000000000536220                p4_global_op
-                0x0000000000536710                p4_dbl_absmin_op
-                0x0000000000536810                p4_flt_sum_op
-                0x0000000000536860                p4_flt_mult_op
-                0x0000000000535c20                p4_broadcastx
-                0x0000000000536520                p4_dbl_mult_op
-                0x0000000000535cf0                subtree_broadcast_p4
-                0x0000000000536b90                p4_int_max_op
-                0x0000000000536bd0                p4_int_min_op
-                0x0000000000536c10                p4_int_absmax_op
-                0x0000000000536b10                p4_int_sum_op
-                0x0000000000536610                p4_dbl_absmax_op
-                0x0000000000536b50                p4_int_mult_op
-                0x0000000000536900                p4_flt_min_op
-                0x0000000000536570                p4_dbl_max_op
-                0x00000000005368b0                p4_flt_max_op
- *fill*         0x0000000000536da8        0x8 90909090
- .text          0x0000000000536db0      0x948 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
-                0x0000000000537480                MPID_RecvComplete
-                0x0000000000536e40                MPID_IrecvContig
-                0x00000000005376f0                MPID_Status_set_bytes
-                0x0000000000537220                MPID_RecvIcomplete
-                0x0000000000536db0                MPID_RecvContig
- *fill*         0x00000000005376f8        0x8 90909090
- .text          0x0000000000537700      0x763 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
-                0x0000000000537b40                MPID_SendIcomplete
-                0x0000000000537700                MPID_SendContig
-                0x0000000000537c30                MPID_SendComplete
-                0x0000000000537a00                MPID_BsendContig
-                0x0000000000537870                MPID_IsendContig
- *fill*         0x0000000000537e63        0xd 90909090
- .text          0x0000000000537e70      0x479 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
-                0x0000000000538150                MPID_RecvCancel
-                0x0000000000537e70                MPID_SendCancel
- *fill*         0x00000000005382e9        0x7 90909090
- .text          0x00000000005382f0     0x1976 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
-                0x0000000000539ba0                MPID_CH_Eagerb_delete
-                0x00000000005382f0                MPID_CH_Eagerb_send
-                0x0000000000539bb0                MPID_CH_Eagerb_setup
-                0x0000000000539870                MPID_CH_Eagerb_cancel_send
-                0x0000000000538960                MPID_CH_Eagerb_recv
-                0x0000000000539880                MPID_CH_Eagerb_irecv
-                0x00000000005391d0                MPID_CH_Eagerb_isend
-                0x0000000000538ea0                MPID_CH_Eagerb_save
-                0x0000000000538c60                MPID_CH_Eagerb_unxrecv_start
- *fill*         0x0000000000539c66        0xa 90909090
- .text          0x0000000000539c70     0x25a0 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
-                0x000000000053bd80                MPID_CH_Rndvb_save_self
-                0x0000000000539c70                MPID_CH_Rndvb_isend
-                0x000000000053b8c0                MPID_CH_Rndvb_ack
-                0x000000000053a1f0                MPID_CH_Rndvb_send
-                0x000000000053a2f0                MPID_CH_Rndvb_irecv
-                0x000000000053ac80                MPID_CH_Rndvb_ok_to_send
-                0x000000000053c150                MPID_CH_Rndvb_delete
-                0x000000000053aa70                MPID_CH_Rndvb_save
-                0x000000000053b5d0                MPID_CH_Rndvb_unxrecv_test_end
-                0x000000000053c160                MPID_CH_Rndvb_setup
-                0x000000000053bea0                MPID_CH_Rndvb_unxrecv_start_self
-                0x000000000053aea0                MPID_CH_Rndvb_unxrecv_start
-                0x000000000053b1b0                MPID_CH_Rndvb_unxrecv_end
- .text          0x000000000053c210      0xf63 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
-                0x000000000053c210                MPID_CH_Check_incoming
- *fill*         0x000000000053d173        0xd 90909090
- .text          0x000000000053d180     0x18ca /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
-                0x000000000053e9a0                MPID_CH_Short_setup
-                0x000000000053e4b0                MPID_CH_Eagerb_unxrecv_start_short
-                0x000000000053d9c0                MPID_CH_Eagerb_isend_short
-                0x000000000053e6f0                MPID_CH_Eagerb_save_short
-                0x000000000053e220                MPID_CH_Eagerb_recv_short
-                0x000000000053d180                MPID_CH_Eagerb_send_short
-                0x000000000053e990                MPID_CH_Eagerb_short_delete
- *fill*         0x000000000053ea4a        0x6 90909090
- .text          0x000000000053ea50      0x4be /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
-                0x000000000053ea70                MPID_SendFlowPacket
-                0x000000000053edd0                MPID_FlowDelete
-                0x000000000053ec30                MPID_RecvFlowPacket
-                0x000000000053edf0                MPID_FlowDump
-                0x000000000053ea50                MPID_FlowDebug
-                0x000000000053ecd0                MPID_FlowSetup
- *fill*         0x000000000053ef0e        0x2 90909090
- .text          0x000000000053ef10      0x61e /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
-                0x000000000053ef10                PMPI_Type_hindexed
-                0x000000000053ef10                MPI_Type_hindexed
- *fill*         0x000000000053f52e        0x2 90909090
- .text          0x000000000053f530      0x48c /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)
-                0x000000000053f530                MPIR_Pack_Hvector
-                0x000000000053f9b0                MPIR_HvectorLen
-                0x000000000053f770                MPIR_UnPack_Hvector
- .text          0x000000000053f9bc      0x2f4 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(close.o)
-                0x000000000053fc2c                __hpfio_cleanup
-                0x000000000053fc05                pgcrf90io_close
-                0x000000000053fb87                pgf90io_close
-                0x000000000053faa3                __hpfio_close
- .text          0x000000000053fcb0       0xc0 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(desc.o)
-                0x000000000053fd10                pghpfio_usw_read
-                0x000000000053fce0                pghpfio_ldr
-                0x000000000053fd28                pghpfio_usw_write
-                0x000000000053fcc8                pghpfio_fmt_write
-                0x000000000053fcb0                pghpfio_fmt_read
-                0x000000000053fcf8                pghpfio_ldw
-                0x000000000053fd58                pghpfio_unf_write
-                0x000000000053fd40                pghpfio_unf_read
- .text          0x000000000053fd70      0xace /usr/pgi/linux86-64/6.0/lib/libpgf90.a(encodefmt.o)
-                0x000000000054081b                pgcrf90io_encode_fmtv
-                0x00000000005407f3                pgf90io_encode_fmtv
-                0x00000000005407cc                pgcrf90io_encode_fmt
-                0x00000000005407a0                pgf90io_encode_fmt
- *fill*         0x000000000054083e        0x2 90909090
- .text          0x0000000000540840      0x9ba /usr/pgi/linux86-64/6.0/lib/libpgf90.a(error.o)
-                0x0000000000540aff                __hpfio_errmsg
-                0x0000000000540cb7                __hpfio_eorerr
-                0x0000000000540f05                pgf90io_src_info
-                0x0000000000540f1b                pgcrf90io_src_info
-                0x00000000005408e0                __hpfio_error
-                0x0000000000540840                __hpfio_errinit
-                0x00000000005411c5                __hpfio_check_format
-                0x0000000000540b90                __hpfio_eoferr
- *fill*         0x00000000005411fa        0x2 90909090
- .text          0x00000000005411fc     0x2759 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtread.o)
-                0x0000000000541a85                pgf90io_fmt_read_a
-                0x000000000054170c                pgcrf90io_fmtr_intern_init
-                0x0000000000541adb                pgcrf90io_fmt_read
-                0x0000000000541794                pgcrf90io_fmtr_intern_initv
-                0x000000000054139d                pgf90io_fmtr_init
-                0x000000000054181f                pgcrf90io_fmtr_intern_inite
-                0x00000000005418c5                __f90io_fmt_read
-                0x00000000005417a5                pgf90io_fmtr_intern_inite
-                0x0000000000543947                pgcrf90io_fmtr_end
-                0x0000000000541833                pgf90io_fmtr_intern_initev
-                0x0000000000541443                pgcrf90io_fmtr_init
-                0x0000000000543939                pgf90io_fmtr_end
-                0x000000000054147a                pgf90io_fmtr_initv
-                0x0000000000541ab1                pgf90io_fmt_read64_a
-                0x0000000000541a59                pgf90io_fmt_read
-                0x000000000054171a                pgf90io_fmtr_intern_initv
-                0x00000000005418ae                pgcrf90io_fmtr_intern_initev
-                0x0000000000541693                pgf90io_fmtr_intern_init
-                0x0000000000541520                pgcrf90io_fmtr_initv
- *fill*         0x0000000000543955        0x3 90909090
- .text          0x0000000000543958     0x2390 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtwrite.o)
-                0x0000000000543bb7                pgcrf90io_fmtw_init
-                0x0000000000543b14                pgf90io_fmtw_init
-                0x0000000000543edd                pgf90io_fmtw_intern_inite
-                0x000000000054419c                pgcrf90io_fmt_write
-                0x0000000000543e31                pgf90io_fmtw_intern_initv
-                0x0000000000543ebb                pgcrf90io_fmtw_intern_initv
-                0x0000000000544177                pgf90io_fmt_write64_a
-                0x0000000000544152                pgf90io_fmt_write_a
-                0x0000000000545ccc                pgf90io_fmtw_end
-                0x0000000000543c8f                pgcrf90io_fmtw_initv
-                0x0000000000543f92                pgf90io_fmtw_intern_initev
-                0x0000000000543e12                pgcrf90io_fmtw_intern_init
-                0x0000000000543bec                pgf90io_fmtw_initv
-                0x000000000054412d                pgf90io_fmt_write
-                0x0000000000543d88                pgf90io_fmtw_intern_init
-                0x0000000000545cda                pgcrf90io_fmtw_end
-                0x0000000000543f6a                pgcrf90io_fmtw_intern_inite
-                0x000000000054401f                pgcrf90io_fmtw_intern_initev
-                0x000000000054404a                __f90io_fmt_write
- .text          0x0000000000545ce8      0x24a /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ftnexit.o)
-                0x0000000000545f11                pgcrf90_pause
-                0x0000000000545df8                pgcrf90_stop
-                0x0000000000545dd7                pgf90_stop
-                0x0000000000545d16                pgcrf90_exit
-                0x0000000000545ce8                pgf90_exit
-                0x0000000000545ee6                pgf90_pause
- *fill*         0x0000000000545f32        0x2 90909090
- .text          0x0000000000545f34     0x1008 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldread.o)
-                0x0000000000546f2e                pgcrf90io_ldr_end
-                0x000000000054636b                pgcrf90io_ldr
-                0x0000000000546126                pgf90io_ldr_intern_inite
-                0x0000000000546030                pgcrf90io_ldr_init
-                0x0000000000546315                pgf90io_ldr_a
-                0x00000000005460b1                pgf90io_ldr_intern_init
-                0x000000000054618e                pgcrf90io_ldr_intern_inite
-                0x000000000054603e                f90io_ldr_intern_init
-                0x0000000000546f20                pgf90io_ldr_end
-                0x0000000000545fd7                pgf90io_ldr_init
-                0x0000000000546341                pgf90io_ldr64_a
-                0x0000000000546118                pgcrf90io_ldr_intern_init
-                0x00000000005462e9                pgf90io_ldr
-                0x00000000005461d5                __f90io_ldr
- .text          0x0000000000546f3c      0x918 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ldwrite.o)
-                0x000000000054747f                pgcrf90io_ldw
-                0x0000000000547127                pgf90io_ldw_intern_init
-                0x0000000000547262                __f90io_ldw
-                0x0000000000547841                pgcrf90io_ldw_end
-                0x000000000054745a                pgf90io_ldw64_a
-                0x0000000000547410                pgf90io_ldw
-                0x000000000054723a                pgcrf90io_ldw_intern_inite
-                0x00000000005471be                pgf90io_ldw_intern_inite
-                0x0000000000547079                pgcrf90io_ldw_init
-                0x0000000000547016                pgf90io_ldw_init
-                0x000000000054782e                pgf90io_ldw_end
-                0x0000000000547435                pgf90io_ldw_a
-                0x000000000054719f                pgcrf90io_ldw_intern_init
- .text          0x0000000000547854      0xfe8 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(open.o)
-                0x0000000000547854                __hpfio_open
-                0x000000000054855b                pgf90io_open_cvt
-                0x0000000000548367                pgf90io_open
-                0x0000000000548616                pgcrf90io_open
-                0x0000000000548786                pgcrf90io_open_cvt
- .text          0x000000000054883c       0xfd /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rewind.o)
-                0x000000000054892b                pgcrf90io_rewind
-                0x00000000005488e4                pgf90io_rewind
- *fill*         0x0000000000548939        0x3 90909090
- .text          0x000000000054893c     0x1b8f /usr/pgi/linux86-64/6.0/lib/libpgf90.a(unf.o)
-                0x0000000000548e44                pgf90io_unf_read_a
-                0x0000000000548ed8                __f90io_unf_write
-                0x0000000000548bc5                __f90io_unf_read
-                0x0000000000548e6e                pgf90io_unf_read64_a
-                0x0000000000549350                pgf90io_byte_write64
-                0x00000000005498d4                __f90io_usw_read
-                0x0000000000549304                pgf90io_unf_write64_a
-                0x000000000054a074                pgf90io_usw_write
-                0x00000000005492da                pgf90io_unf_write_a
-                0x0000000000549c06                __f90io_usw_write
-                0x0000000000549bb2                pgf90io_usw_read_a
-                0x0000000000548eba                pgf90io_byte_read64
-                0x000000000054936e                __f90io_unf_end
-                0x0000000000548e98                pgf90io_byte_read
-                0x000000000054a4bd                pgf90io_usw_end
-                0x0000000000548b5e                pgf90io_unf_init
-                0x00000000005497c0                __f90io_usw_init
-                0x000000000054986d                pgf90io_usw_init
-                0x00000000005497b2                pgf90io_unf_end
-                0x00000000005492b0                pgf90io_unf_write
-                0x000000000054932e                pgf90io_byte_write
-                0x0000000000548e1a                pgf90io_unf_read
-                0x000000000054a09e                pgf90io_usw_write_a
-                0x0000000000549bdc                pgf90io_usw_read64_a
-                0x0000000000548983                __f90io_unf_init
-                0x0000000000549b88                pgf90io_usw_read
-                0x000000000054a0c8                pgf90io_usw_write64_a
-                0x000000000054a0f2                __f90io_usw_end
- *fill*         0x000000000054a4cb        0x1 90909090
- .text          0x000000000054a4cc      0x682 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utils.o)
-                0x000000000054a910                __hpfio_zeropad
-                0x000000000054a4cc                __hpfio_alloc_fcb
-                0x000000000054a985                __hpfio_eq_str
-                0x000000000054a586                __hpfio_rwinit
-                0x000000000054a8f1                __hpfio_find_unit
-                0x000000000054a540                __hpfio_free_fcb
-                0x000000000054a9ee                __hpfio_swap_bytes
- *fill*         0x000000000054ab4e        0x2 90909090
- .text          0x000000000054ab50      0xb21 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(utilsi64.o)
-                0x000000000054ab50                __hpf_atoxi32
-                0x000000000054ad6b                __hpf_atoxi64
-                0x000000000054adaa                __hpf_i64toax
- *fill*         0x000000000054b671        0x3 90909090
- .text          0x000000000054b674      0x97f /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo.o)
-                0x000000000054bd31                pgf90_ptr_calloc
-                0x000000000054b774                pghpf_ptr_offset
-                0x000000000054b7a8                __hpf_alloc
-                0x000000000054ba90                ftn_allocate
-                0x000000000054bdb0                __hpf_dealloc
-                0x000000000054bd88                __hpf_local_allocate
-                0x000000000054bcd3                pgf90_calloc
-                0x000000000054b6be                __hpf_ptr_offset
-                0x000000000054bfc3                __hpf_deallocate
-                0x000000000054bb0d                pgf90_alloc
-                0x000000000054becd                ftn_dealloc
-                0x000000000054bfa7                pgf90_deallocx
-                0x000000000054ba31                ftn_allocated
-                0x000000000054bfdb                __hpf_local_deallocate
-                0x000000000054ba6f                pgf90_kallocated
-                0x000000000054bee0                pgf90_dealloc
-                0x000000000054bd60                __hpf_allocate
-                0x000000000054b674                __hpf_ptr_aligned
-                0x000000000054b9c7                __hpf_allocated
-                0x000000000054ba50                pgf90_allocated
-                0x000000000054bb0c                __f90_allo_term
-                0x000000000054beba                ftn_deallocate
-                0x000000000054bd02                pgf90_ptr_alloc
-                0x000000000054bad0                ftn_alloc
- *fill*         0x000000000054bff3        0x1 90909090
- .text          0x000000000054bff4      0x9ad /usr/pgi/linux86-64/6.0/lib/libpgf90.a(entry.o)
-                0x000000000054c8aa                __hpf_entry_asend_done
-                0x000000000054c5f2                __hpf_entry_recv
-                0x000000000054c24c                pghpf_line_entry
-                0x000000000054c6e0                __hpf_entry_send_done
-                0x000000000054bff4                __hpf_entry_init
-                0x000000000054c5ad                pghpf_tracecall
-                0x000000000054c970                __hpf_entry_term
-                0x000000000054c68a                __hpf_entry_send
-                0x000000000054c099                pghpf_function_entry
-                0x000000000054c8ec                __hpf_entry_await
-                0x000000000054c92e                __hpf_entry_await_done
-                0x000000000054c276                __hpf_traceback
-                0x000000000054c3fa                __hpf_tracecall
-                0x000000000054c722                __hpf_entry_copy
-                0x000000000054c207                pghpf_function_exit
-                0x000000000054c801                __hpf_entry_arecv_done
-                0x000000000054c3e7                pghpf_traceback
-                0x000000000054c79a                __hpf_entry_arecv
-                0x000000000054c758                __hpf_entry_copy_done
-                0x000000000054c648                __hpf_entry_recv_done
-                0x000000000054c843                __hpf_entry_asend
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- .text          0x000000000054c9a4      0x1d0 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio.o)
-                0x000000000054cacb                __hpfio_stat_bcst
-                0x000000000054cabb                __hpfio_stat_init
-                0x000000000054c9a4                __hpfio_loop
-                0x000000000054ca11                __hpf_status_init
-                0x000000000054ca21                __hpf_status_bcst
- .text          0x000000000054cb74      0x227 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(hpfio_hpf.o)
-                0x000000000054cc6b                __hpfio_main
- *fill*         0x000000000054cd9b        0x1 90909090
- .text          0x000000000054cd9c      0xeed /usr/pgi/linux86-64/6.0/lib/libpgf90.a(initpar.o)
-                0x000000000054cda3                __hpf_ncpus
-                0x000000000054d055                __hpf_getopt
-                0x000000000054cd9c                __hpf_myprocnum
-                0x000000000054ce33                __hpf_abortp
-                0x000000000054cdb1                __hpf_is_ioproc
-                0x000000000054d86e                __hpf_passargs
-                0x000000000054db22                pghpf_init
-                0x000000000054cdaa                __hpf_getioproc
-                0x000000000054cdc4                __hpf_abort
-                0x000000000054d2a4                __hpf_getoptb
-                0x000000000054dc62                pgf90_compiled
-                0x000000000054ce68                __hpf_exit
-                0x000000000054dc01                __hpf_pull_them_in
-                0x000000000054d734                __hpf_procargs
-                0x000000000054d22c                __hpf_getoptn
-                0x000000000054cf21                __hpf_getenv
- *fill*         0x000000000054dc89        0x3 90909090
- .text          0x000000000054dc8c      0x788 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(malloc.o)
-                0x000000000054dc8c                __hpf_malloc_without_abort
-                0x000000000054dd9c                __hpf_calloc_without_abort
-                0x000000000054de25                __hpf_free
-                0x000000000054e396                __hpf_gmalloc
-                0x000000000054e406                __hpf_gfree
-                0x000000000054e3f8                __hpf_gcalloc
-                0x000000000054dd01                __hpf_realloc
-                0x000000000054ddeb                __hpf_calloc
-                0x000000000054dce4                __hpf_malloc
-                0x000000000054e32d                __hpf_gmalloc_without_abort
-                0x000000000054e3e0                __hpf_gcalloc_without_abort
-                0x000000000054e3d2                __hpf_grealloc
- .text          0x000000000054e414      0xe58 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(ptr.o)
-                0x000000000054e463                pghpf_nullify
-                0x000000000054e4e0                pghpf_nullify_char
-                0x000000000054f113                pghpf_associated
-                0x000000000054f233                pgf90_ptrchk
-                0x000000000054ea02                pghpf_ptr_assign
-                0x000000000054ee67                pghpf_ptr_in_char
-                0x000000000054eee6                pghpf_ptr_out
-                0x000000000054f151                pghpf_associated_char
-                0x000000000054f013                __hpf_associated
-                0x000000000054ef95                pghpf_ptr_out_char
-                0x000000000054f261                pgf90_ptrcp
-                0x000000000054f17f                pgf90_subchk
-                0x000000000054eca0                pghpf_ptr_assign_charx
-                0x000000000054ee4a                pghpf_ptr_in
-                0x000000000054f1d7                pgf90_subchk64
-                0x000000000054e54e                pghpf_nullifyx
-                0x000000000054eaf3                pghpf_ptr_assign_char
-                0x000000000054e700                pghpf_ptr_asgn
-                0x000000000054e7e1                pghpf_ptr_asgn_char
-                0x000000000054ebb6                pghpf_ptr_assignx
- .text          0x000000000054f26c     0x30de /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rdst.o)
-                0x00000000005505ff                pghpf_template
-                0x0000000000550fcf                pgf90_template3
-                0x0000000000550391                __hpf_copy_out
-                0x0000000000551bb8                pgf90_copy_f77_argsl
-                0x000000000055184c                pgf90_copy_f77_argw
-                0x000000000054f5e8                pghpf_qopy_in
-                0x00000000005515e3                pghpf_freen
-                0x00000000005512ff                pgf90_template3v
-                0x0000000000551575                pghpf_free
-                0x000000000055145d                pghpf_instance
-                0x00000000005511f6                pgf90_template2v
-                0x0000000000551142                pgf90_template1v
-                0x000000000054f26c                __hpf_stored_alike
-                0x0000000000551dd6                pgf90_copy_f90_arg
-                0x0000000000550eb7                pgf90_template2
-                0x0000000000552086                pgf90_copy_f90_argl
-                0x000000000054f55d                is_nonsequential_section
-                0x000000000055057c                pghpf_check_block_size
-                0x0000000000550dfa                pgf90_template1
-                0x0000000000550556                pghpf_copy_out
-                0x00000000005516a9                pgf90_copy_f77_arg
-                0x0000000000550c2d                pgf90_template
-                0x00000000005519fb                pgf90_copy_f77_argl
- *fill*         0x000000000055234a        0x2 90909090
- .text          0x000000000055234c      0x1ff /usr/pgi/linux86-64/6.0/lib/libpgf90.a(rw.o)
-                0x0000000000552416                __hpf_rrecv
-                0x0000000000552532                __hpf_rbcst
-                0x000000000055234c                __hpf_rrecvl
-                0x0000000000552448                __hpf_rbcstl
-                0x000000000055242f                __hpf_rsend
-                0x00000000005523b1                __hpf_rsendl
- *fill*         0x000000000055254b        0x1 90909090
- .text          0x000000000055254c       0x64 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(version.o)
-                0x000000000055254c                __hpf_print_version
- .text          0x00000000005525b0      0x796 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(xfer.o)
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-                0x0000000000552c0e                __hpf_getgbuf
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-                0x00000000005529dd                __hpf_adjbase
-                0x0000000000552766                __hpf_sendl
- *fill*         0x0000000000552d46        0x2 90909090
- .text          0x0000000000552d48      0x241 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(stat_linux.o)
-                0x0000000000552d90                __hpf_gettb
-                0x0000000000552d48                __hpf_setarg
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- .text          0x0000000000552f8c      0x9a3 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(allo_i8.o)
-                0x00000000005532e5                __hpf_allocated_i8
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-                0x00000000005533ae                ftn_allocate_i8
-                0x0000000000553602                pgf90_calloc_i8
-                0x000000000055381b                pgf90_dealloc_i8
-                0x00000000005536eb                __hpf_dealloc_i8
-                0x00000000005533f1                ftn_alloc_i8
-                0x0000000000552f8c                __hpf_ptr_aligned_i8
-                0x000000000055308a                pghpf_ptr_offset_i8
-                0x0000000000553664                pgf90_ptr_calloc_i8
-                0x00000000005538e3                pgf90_deallocx_i8
-                0x000000000055338d                pgf90_kallocated_i8
-                0x0000000000553633                pgf90_ptr_alloc_i8
-                0x00000000005536c0                __hpf_local_allocate_i8
-                0x0000000000553917                __hpf_local_deallocate_i8
-                0x0000000000553430                __f90_allo_term_i8
-                0x0000000000553431                pgf90_alloc_i8
-                0x00000000005537f5                ftn_deallocate_i8
-                0x0000000000552fd5                __hpf_ptr_offset_i8
-                0x000000000055336e                pgf90_allocated_i8
-                0x0000000000553808                ftn_dealloc_i8
-                0x0000000000553695                __hpf_allocate_i8
-                0x000000000055334f                ftn_allocated_i8
-                0x00000000005530be                __hpf_alloc_i8
- *fill*         0x000000000055392f        0x1 90909090
- .text          0x0000000000553930      0x2de /usr/pgi/linux86-64/6.0/lib/libpgf90.a(assign.o)
-                0x0000000000553930                __hpfio_assign
- *fill*         0x0000000000553c0e        0x2 90909090
- .text          0x0000000000553c10     0x18d3 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtconv.o)
-                0x00000000005548ef                __hpfio_fmt_e
-                0x0000000000554a17                __hpfio_fmt_f
-                0x0000000000553c28                __hpfio_default_convert
-                0x0000000000554293                __hpfio_fmt_i8
-                0x0000000000554122                __hpfio_fmt_i
-                0x0000000000554585                __hpfio_fmt_d
-                0x0000000000555426                __hpfio_chk_f
-                0x0000000000553c10                __hpfio_printbigreal
-                0x0000000000554677                __hpfio_fmt_g
- *fill*         0x00000000005554e3        0x1 90909090
- .text          0x00000000005554e4      0x359 /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fmtgetnum.o)
-                0x00000000005554e4                __hpfio_getnum
- *fill*         0x000000000055583d        0x3 90909090
- .text          0x0000000000555840     0x13da /usr/pgi/linux86-64/6.0/lib/libpgf90.a(fpcvt.o)
-                0x0000000000556a9d                __hpfio_fcvt
-                0x00000000005569b5                __hpfio_ecvt
-                0x000000000055695a                __hpfio_strtod
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-                0x0000000000556c1c                __hpf_atol
-                0x0000000000556c6a                __hpf_strtol
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-                0x0000000000556ee7                pghpf_owner
-                0x000000000055b1d7                pghpf_kuboundaz
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-                0x000000000055701e                __hpf_next_owner
-                0x000000000055745d                __hpf_cycle_bounds
-                0x000000000055b031                pghpf_lboundaz
-                0x0000000000557b3d                __hpf_localproc
-                0x000000000055b224                pghpf_size
-                0x0000000000558241                pgf90_sect
-                0x0000000000557e07                __hpf_finish_section
-                0x000000000055acfc                __hpf_copy_descriptor
-                0x0000000000557d88                __hpf_set_section
-                0x0000000000557740                pghpf_localize_bounds
-                0x0000000000559190                pgf90_sect2v
-                0x0000000000556cec                __hpf_new_gen_block
-                0x000000000055a863                pghpf_sect3v
-                0x000000000055b359                pghpf_kshape
-                0x000000000055b29d                pghpf_ksize
-                0x0000000000557508                pghpf_cyclic_loop
-                0x000000000055746c                __hpf_cyclic_loop
-                0x0000000000559d13                pgf90_sect3v
-                0x000000000055b074                pghpf_klbounda
-                0x0000000000557399                pghpf_localize_index
-                0x0000000000556cf2                __hpf_gen_block_bounds
-                0x000000000055b316                pghpf_shape
-                0x000000000055758a                block_setup
-                0x0000000000556fbf                __hpf_describe_replication
-                0x000000000055ae4b                pghpf_lbound
-                0x0000000000557c67                __hpf_finish_descriptor
-                0x0000000000558cb6                pgf90_sect2
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- .note          0x0000000000000884       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chdebug.o)
- .note          0x0000000000000898       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chinit.o)
- .note          0x00000000000008ac       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chhetero.o)
- .note          0x00000000000008c0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chtick.o)
- .note          0x00000000000008d4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4priv.o)
- .note          0x00000000000008e8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(queue.o)
- .note          0x00000000000008fc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cmnargs.o)
- .note          0x0000000000000910       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sbcnst2.o)
- .note          0x0000000000000924       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(session.o)
- .note          0x0000000000000938       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chpackflow.o)
- .note          0x000000000000094c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chcancel.o)
- .note          0x0000000000000960       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(isend.o)
- .note          0x0000000000000974       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(irecv.o)
- .note          0x0000000000000988       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(wait.o)
- .note          0x000000000000099c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(test.o)
- .note          0x00000000000009b0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(cancel.o)
- .note          0x00000000000009c4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(waitall.o)
- .note          0x00000000000009d8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(sendrecv.o)
- .note          0x00000000000009ec       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(testall.o)
- .note          0x0000000000000a00       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(getcount.o)
- .note          0x0000000000000a14       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_commit.o)
- .note          0x0000000000000a28       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_contig.o)
- .note          0x0000000000000a3c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_extent.o)
- .note          0x0000000000000a50       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_free.o)
- .note          0x0000000000000a64       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_ind.o)
- .note          0x0000000000000a78       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_lb.o)
- .note          0x0000000000000a8c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_size.o)
- .note          0x0000000000000aa0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_struct.o)
- .note          0x0000000000000ab4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack_size.o)
- .note          0x0000000000000ac8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pack.o)
- .note          0x0000000000000adc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(unpack.o)
- .note          0x0000000000000af0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(debugutil.o)
- .note          0x0000000000000b04       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(errset.o)
- .note          0x0000000000000b18       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(pkutil.o)
- .note          0x0000000000000b2c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(keyvalcreate.o)
- .note          0x0000000000000b40       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(reduce.o)
- .note          0x0000000000000b54       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_globals.o)
- .note          0x0000000000000b68       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_MD.o)
- .note          0x0000000000000b7c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_error.o)
- .note          0x0000000000000b90       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_args.o)
- .note          0x0000000000000ba4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_alloc.o)
- .note          0x0000000000000bb8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_debug.o)
- .note          0x0000000000000bcc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_procgroup.o)
- .note          0x0000000000000be0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_tsr.o)
- .note          0x0000000000000bf4       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_mon.o)
- .note          0x0000000000000c08       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(p4_broadcast.o)
- .note          0x0000000000000c1c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2recv.o)
- .note          0x0000000000000c30       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2send.o)
- .note          0x0000000000000c44       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(adi2cancel.o)
- .note          0x0000000000000c58       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbeager.o)
- .note          0x0000000000000c6c       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chbrndv.o)
- .note          0x0000000000000c80       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chchkdev.o)
- .note          0x0000000000000c94       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chshort.o)
- .note          0x0000000000000ca8       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(chflow.o)
- .note          0x0000000000000cbc       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(type_hind.o)
- .note          0x0000000000000cd0       0x14 /usr/local/mpich-1.2.5.2_pgi64-6.0-4_ssh/lib/libmpich.a(dmpipk.o)

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 5f4d273..43de88d 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -215,7 +215,9 @@ if (UNRES_WITH_MPI)
   set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 endif(UNRES_WITH_MPI)
 
   set(CPPFLAGS "${CPPFLAGS} -DMP -DMPI") 
 endif(UNRES_WITH_MPI)
 

+#=========================================

 # Apply preprocesor flags to *.F files
 # Apply preprocesor flags to *.F files

+#=========================================

 set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )  
 
 
 set_property(SOURCE ${UNRES_MD_PP_SRC} PROPERTY COMPILE_DEFINITIONS ${CPPFLAGS} )