X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FMakefile-MPICH-ifort;h=1c9a07a2527a8270258fc4c9bd468a197fd6b394;hb=272adb4603e8f27ca6f69069921e2d72f4ad3cb3;hp=ea08f41d68948dfdc3953ef69a6ff97a58d6cdfe;hpb=5e13bfdf2c98103be8166d5d2bbf9269c40e63a4;p=unres.git

diff --git a/source/cluster/wham/src-M/Makefile-MPICH-ifort b/source/cluster/wham/src-M/Makefile-MPICH-ifort
index ea08f41..1c9a07a 100644
--- a/source/cluster/wham/src-M/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src-M/Makefile-MPICH-ifort
@@ -4,8 +4,7 @@ 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$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
 
 .c.o:
 	cc -c -DLINUX -DPGI $*.c
@@ -23,15 +22,37 @@ objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.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 permut.o
 
-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-mult_MPICH-GAB.exe
+all: no_option
+	@echo "Specify force field: GAB, 4P or E0LL2Y"
 
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0
-E0LL2Y: $(objects) xdrf/libxdrf.a
-	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe
+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-mult_ifort_MPICH_GAB.exe
+GAB: ${objects} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} ${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-mult_ifort_MPICH_4P.exe
+4P: ${objects} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}
+
+E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+	-DCLUST -DSPLITELE -DLANG0 
+E0LL2Y: BIN = ../../../../bin/cluster/unres_clustMD-mult_ifort_MPICH_E0LL2Y.exe
+E0LL2Y: ${objects} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}
 
 xdrf/libxdrf.a:
 	cd xdrf && make