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Merge branch 'devel' into adam
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Wed, 18 Jul 2012 10:34:03 +0000 (06:34 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Wed, 18 Jul 2012 10:34:03 +0000 (06:34 -0400)
Conflicts:
bin/wham/wham_ifort_MPICH_GAB.exe
source/cluster/wham/src/Makefile
source/unres/src_MD/cinfo.f
source/wham/src/cinfo.f

1  2 
bin/wham/wham_ifort_MPICH_GAB.exe patch | blob1 | blob2 | history
source/cluster/wham/src/Makefile patch | diff1 | diff2 | blob | history
source/wham/src/cinfo.f patch | blob1 | blob2 | history

diff --cc bin/wham/wham_ifort_MPICH_GAB.exe
index d83f6f7,dcab164..0000000
deleted file mode 100755,100755
Binary files differ
diff --cc source/cluster/wham/src/Makefile
index 6c9226d,333ebec..b192a7b
--- 1/source/cluster/wham/src/Makefile
--- 2/source/cluster/wham/src/Makefile
+++ b/source/cluster/wham/src/Makefile
@@@ -3,9 -3,9 +3,15 @@@ BIN=../../../../bi
  FC = ifort
  OPT = -O3 -ip -w
  OPT = -CB -g 
++<<<<<<< HEAD
 +FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
 +CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DMP -DMPI
 +LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
++=======
+ FFLAGS =  ${OPT} -c -I. -I./include_unres -I../src_MD_T-sccor -I/users/adam/MEY_MD/src_Tc-czarek -I$(INSTALL_DIR)/include
+ CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DMP -DMPI
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich ./xdrf/libxdrf.a -g -d2 -CA -CB
++>>>>>>> devel
  
  .c.o:
        cc -c -DLINUX -DPGI $*.c
diff --cc source/wham/src/cinfo.f
index 641b295,82c48ab..0000000
deleted file mode 100644,100644
--- 1/source/wham/src/cinfo.f
--- 2/source/wham/src/cinfo.f
+++ /dev/null
@@@ -1,62 -1,62 +1,0 @@@
--C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
- C 0 0 573
-       subroutine cinfo
-       include 'COMMON.IOUNITS'
-       write(iout,*)'++++ Compile info ++++'
-       write(iout,*)'Version 0.0 build 573'
-       write(iout,*)'compiled Wed Jul 18 03:05:03 2012'
-       write(iout,*)'compiled by jal47@matrix.chem.cornell.edu'
-       write(iout,*)'OS name:    Linux '
-       write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
-       write(iout,*)'OS version:',
-      & ' #1 SMP Tue May 3 09:23:03 UTC 2011 '
-       write(iout,*)'flags:'
-       write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
-       write(iout,*)'BIN = ../../../bin/wham'
-       write(iout,*)'FC= ifort'
-       write(iout,*)'OPT = -mcmodel=medium -O3 -ip -w'
-       write(iout,*)'FFLAGS = ${OPT} -c -I. -I./include_unres -I$(IN...'
-       write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xd...'
-       write(iout,*)'objects = \\'
-       write(iout,*)'  wham_multparm.o \\'
-       write(iout,*)'  bxread.o \\'
-       write(iout,*)'  xread.o \\'
-       write(iout,*)'  cxread.o \\'
-       write(iout,*)'  enecalc1.o \\'
-       write(iout,*)'  energy_p_new.o \\'
-       write(iout,*)'  gnmr1.o \\'
-       write(iout,*)'  initialize_p.o \\'
-       write(iout,*)'  molread_zs.o \\'
-       write(iout,*)'  openunits.o \\'
-       write(iout,*)'  readrtns.o \\'
-       write(iout,*)'  arcos.o \\'
-       write(iout,*)'  cartder.o \\'
-       write(iout,*)'  cartprint.o \\'
-       write(iout,*)'  chainbuild.o \\'
-       write(iout,*)'  geomout.o \\'
-       write(iout,*)'  icant.o \\'
-       write(iout,*)'  intcor.o \\'
-       write(iout,*)'  int_from_cart.o \\'
-       write(iout,*)'  make_ensemble1.o \\'
-       write(iout,*)'  matmult.o \\'
-       write(iout,*)'  misc.o \\'
-       write(iout,*)'  mygetenv.o \\'
-       write(iout,*)'  parmread.o \\'
-       write(iout,*)'  pinorm.o \\'
-       write(iout,*)'  printmat.o \\'
-       write(iout,*)'  proc_proc.o \\'
-       write(iout,*)'  rescode.o \\'
-       write(iout,*)'  setup_var.o \\'
-       write(iout,*)'  slices.o \\'
-       write(iout,*)'  store_parm.o \\'
-       write(iout,*)'  timing.o \\'
-       write(iout,*)'  wham_calc1.o'
-       write(iout,*)'objects_compar = \\'
-       write(iout,*)'        readrtns_compar.o \\'
-       write(iout,*)'        readpdb.o fitsq.o contact.o \\'
-       write(iout,*)'        elecont.o contfunc.o cont_frag.o conf_c...'
-       write(iout,*)'GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITEL...'
-       write(iout,*)'E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLI...'
-       write(iout,*)'++++ End of compile info ++++'
-       return
-       end
 -C 0 4196011 2
 -      subroutine cinfo
 -      include 'COMMON.IOUNITS'
 -      write(iout,*)'++++ Compile info ++++'
 -      write(iout,*)'Version 0.4196011 build 2'
 -      write(iout,*)'compiled Wed Jul 18 05:59:41 2012'
 -      write(iout,*)'compiled by jal47@matrix.chem.cornell.edu'
 -      write(iout,*)'OS name:    Linux '
 -      write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
 -      write(iout,*)'OS version:',
 -     & ' #1 SMP Tue May 3 09:23:03 UTC 2011 '
 -      write(iout,*)'flags:'
 -      write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...'
 -      write(iout,*)'BIN = ../../../bin/wham'
 -      write(iout,*)'FC= ifort'
 -      write(iout,*)'OPT = -mcmodel=medium -O3 -ip -w'
 -      write(iout,*)'FFLAGS = ${OPT} -c -I. -I./include_unres -I$(IN...'
 -      write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xd...'
 -      write(iout,*)'objects = \\'
 -      write(iout,*)'  wham_multparm.o \\'
 -      write(iout,*)'  bxread.o \\'
 -      write(iout,*)'  xread.o \\'
 -      write(iout,*)'  cxread.o \\'
 -      write(iout,*)'  enecalc1.o \\'
 -      write(iout,*)'  energy_p_new.o \\'
 -      write(iout,*)'  gnmr1.o \\'
 -      write(iout,*)'  initialize_p.o \\'
 -      write(iout,*)'  molread_zs.o \\'
 -      write(iout,*)'  openunits.o \\'
 -      write(iout,*)'  readrtns.o \\'
 -      write(iout,*)'  arcos.o \\'
 -      write(iout,*)'  cartder.o \\'
 -      write(iout,*)'  cartprint.o \\'
 -      write(iout,*)'  chainbuild.o \\'
 -      write(iout,*)'  geomout.o \\'
 -      write(iout,*)'  icant.o \\'
 -      write(iout,*)'  intcor.o \\'
 -      write(iout,*)'  int_from_cart.o \\'
 -      write(iout,*)'  make_ensemble1.o \\'
 -      write(iout,*)'  matmult.o \\'
 -      write(iout,*)'  misc.o \\'
 -      write(iout,*)'  mygetenv.o \\'
 -      write(iout,*)'  parmread.o \\'
 -      write(iout,*)'  pinorm.o \\'
 -      write(iout,*)'  printmat.o \\'
 -      write(iout,*)'  proc_proc.o \\'
 -      write(iout,*)'  rescode.o \\'
 -      write(iout,*)'  setup_var.o \\'
 -      write(iout,*)'  slices.o \\'
 -      write(iout,*)'  store_parm.o \\'
 -      write(iout,*)'  timing.o \\'
 -      write(iout,*)'  wham_calc1.o'
 -      write(iout,*)'objects_compar = \\'
 -      write(iout,*)'        readrtns_compar.o \\'
 -      write(iout,*)'        readpdb.o fitsq.o contact.o \\'
 -      write(iout,*)'        elecont.o contfunc.o cont_frag.o conf_c...'
 -      write(iout,*)'GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITEL...'
 -      write(iout,*)'E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLI...'
 -      write(iout,*)'++++ End of compile info ++++'
 -      return
 -      end
UNRESPACK 3.x