Added files

diff --git a/bin/cluster/unres_clustMD_MPICH-E0LL2Y.exe b/bin/cluster/unres_clustMD_MPICH-E0LL2Y.exe
index de41d4e..c6ae461 100755 (executable)
Binary files a/bin/cluster/unres_clustMD_MPICH-E0LL2Y.exe and b/bin/cluster/unres_clustMD_MPICH-E0LL2Y.exe differ

diff --git a/source/cluster/wham/src-NEWSC/Makefile b/source/cluster/wham/src-NEWSC/Makefile
deleted file mode 100644 (file)
index ca2a8da2258f2642276527ff2ed6a064eac767f0..0000000000000000000000000000000000000000
--- a/source/cluster/wham/src-NEWSC/Makefile
+++ /dev/null
@@ -1,48 +0,0 @@
-INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1
-BIN=/users/adam/bin
-FC = ifort
-OPT = -O3 -ip -w
-#OPT = -CB -g 
-FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
-CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
-
-.c.o:
-       cc -c -DLINUX -DPGI $*.c
-
-.f.o:
-       ${FC} ${FFLAGS} $*.f
-
-.F.o:
-       ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
-
-objects = 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 read_ref_str.o gnmr1.o
-
-GABs: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-       -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCALREP
-GABs: $(objects) xdrf/libxdrf.a
-       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-MM-KN-scalrep.exe
-
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-       -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-GAB: $(objects) xdrf/libxdrf.a
-       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-MM-KN.exe
-
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-       -DSPLITELE -DLANG0
-E0LL2Y: $(objects) xdrf/libxdrf.a
-       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-MM-PH.exe
-
-xdrf/libxdrf.a:
-       cd xdrf && make
-
-
-clean:
-       /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
-
-

diff --git a/source/cluster/wham/src-NEWSC/Makefile b/source/cluster/wham/src-NEWSC/Makefile
new file mode 120000 (symlink)
index 0000000000000000000000000000000000000000..693492ee96e635ce1b09cbb19e94f4da87bde8c2
--- /dev/null
+++ b/source/cluster/wham/src-NEWSC/Makefile
@@ -0,0 +1 @@
+Makefile-MPICH-ifort
\ No newline at end of file

diff --git a/source/cluster/wham/src-NEWSC/Makefile-MPICH-ifort b/source/cluster/wham/src-NEWSC/Makefile-MPICH-ifort
index ca2a8da..2521818 100644 (file)
--- a/source/cluster/wham/src-NEWSC/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src-NEWSC/Makefile-MPICH-ifort
@@ -1,4 +1,4 @@
-INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1
+INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 BIN=/users/adam/bin
 FC = ifort
 OPT = -O3 -ip -w