X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-gfortran;fp=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-gfortran;h=65249b64c59ea5768356706e7b5c2c4098deccd5;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/source/cluster/wham/src/Makefile-MPICH-gfortran b/source/cluster/wham/src/Makefile-MPICH-gfortran
new file mode 100644
index 0000000..65249b6
--- /dev/null
+++ b/source/cluster/wham/src/Makefile-MPICH-gfortran
@@ -0,0 +1,66 @@
+##################################################################
+INSTALL_DIR = /users/software/mpich2-1.0.7
+
+FC= gfortran
+
+OPT =  -O
+
+FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
+
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread xdrf/libxdrf.a
+
+.c.o:
+	cc -c -DLINUX -DPGI $*.c
+
+.f.o:
+	${FC} ${FFLAGS} $*.f
+
+.F.o:
+	${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
+
+object = 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
+
+all: no_option
+	@echo "Specify force field: GAB, 4P or E0LL2Y"
+
+no_option:
+
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+	-DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+GAB: BIN = ../../../../bin/cluster/unres_clustMD_gfort_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 -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+	-DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+4P: BIN = ../../../../bin/cluster/unres_clustMD_gfort_MPICH_4P.exe
+4P: ${object} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${object} ${LIBS} -o ${BIN}
+
+E0LL2Y: CPPFLAGS = -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+	-DCLUST -DSPLITELE -DLANG0 
+E0LL2Y: BIN = ../../../../bin/cluster/unres_clustMD_gfort_MPICH_E0LL2Y.exe
+E0LL2Y: ${object} xdrf/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${object} ${LIBS} -o ${BIN}
+
+xdrf/libxdrf.a:
+	cd xdrf && make
+
+clean:
+	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
+
+