X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-ifort;h=5d8afe68ef23d9e6f75e3c211451c4f2a6202f11;hb=1d9e46e3a0f61fb1f84708bf20fdc8a7d93a2339;hp=624e253c44cc628482b45426fdce3fb3a4b16e51;hpb=24bbf0f3f06452c69bf4b69b4a9ba620e0260d7b;p=unres.git

diff --git a/source/cluster/wham/src/Makefile-MPICH-ifort b/source/cluster/wham/src/Makefile-MPICH-ifort
index 624e253..5d8afe6 100644
--- a/source/cluster/wham/src/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -1,11 +1,13 @@
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users/local/mpich2-1.4.1p1_intel
 BIN=../../../../bin/cluster
 FC = ifort
-OPT = -O3 -ip -w
+OPT = -O3 -ip -w -mcmodel=medium -shared-intel
 #OPT = -CB -g 
 FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
-CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI -DCLUST
+#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -lmpl
 
 .c.o:
 	cc -c -DLINUX -DPGI $*.c
@@ -21,17 +23,23 @@ objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.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
+	setup_var.o read_ref_str.o gnmr1.o ssMD.o dfa.o
 
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DCLUST \
 	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 GAB: $(objects) xdrf/libxdrf.a
-	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-GAB.exe
+	cc -o compinfo compinfo.c
+	./compinfo
+	${FC} -c ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} cinfo.o ${LIBS} -o ${BIN}/unres_clustMD_MPICH-restr-DFA-GAB.exe
 
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DCLUST \
 	-DSPLITELE -DLANG0
 E0LL2Y: $(objects) xdrf/libxdrf.a
-	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-E0LL2Y.exe
+	cc -o compinfo compinfo.c
+	./compinfo
+	${FC} -c ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} cinfo.o ${LIBS} -o ${BIN}/unres_clustMD_MPICH-restr-DFA-E0LL2Y.exe
 
 xdrf/libxdrf.a:
 	cd xdrf && make