X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-ifort;h=ef700857a88907ce565fa15b898678e7331db5bf;hb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;hp=c688216299dbb0185eb7387513212f0f78844c10;hpb=0874c4ea42598369272a66bf4a345dcf7bff8b1f;p=unres.git

diff --git a/source/cluster/wham/src/Makefile-MPICH-ifort b/source/cluster/wham/src/Makefile-MPICH-ifort
index c688216..ef70085 100644
--- a/source/cluster/wham/src/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -1,10 +1,12 @@
 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+BIN=../../../../bin/cluster
 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$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI -DCLUST
+#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a 
 
 .c.o:
 	cc -c -DLINUX -DPGI $*.c
@@ -15,48 +17,33 @@ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
 .F.o:
 	${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
 
-object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
+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 ssMD.o
+	setup_var.o read_ref_str.o gnmr1.o ssMD.o dfa.o
 
-all: no_option
-	@echo "Specify force field: GAB, 4P or E0LL2Y"
-
-no_option:
-
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-GAB: BIN = ../../../../bin/cluster/unres_clustMD_ifort_MPICH_GAB.exe
-GAB: ${object} xdrf/libxdrf.a
-	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	$(FC) ${OPT} ${object} ${LIBS} -o ${BIN}
-
-4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-4P: BIN = ../../../../bin/cluster/unres_clustMD_ifort_MPICH_4P.exe
-4P: ${object} xdrf/libxdrf.a
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DCLUST \
+	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+GAB: $(objects) xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	$(FC) ${OPT} ${object} ${LIBS} -o ${BIN}
-
-E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-	-DCLUST -DSPLITELE -DLANG0 
-E0LL2Y: BIN = ../../../../bin/cluster/unres_clustMD_ifort_MPICH_E0LL2Y.exe
-E0LL2Y: ${object} xdrf/libxdrf.a
+	./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 -DCLUST \
+	-DSPLITELE -DLANG0
+E0LL2Y: $(objects) xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	$(FC) ${OPT} ${object} ${LIBS} -o ${BIN}
+	./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
 
+
 clean:
 	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean