X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-ifort;fp=source%2Fcluster%2Fwham%2Fsrc%2FMakefile-MPICH-ifort;h=624e253c44cc628482b45426fdce3fb3a4b16e51;hb=0a11a2c4ccee14ed99ae44f2565b270ba8d4bbb6;hp=0000000000000000000000000000000000000000;hpb=5eb407964903815242c59de10960f42761139e10;p=unres.git

diff --git a/source/cluster/wham/src/Makefile-MPICH-ifort b/source/cluster/wham/src/Makefile-MPICH-ifort
new file mode 100644
index 0000000..624e253
--- /dev/null
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -0,0 +1,43 @@
+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
+
+.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
+
+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-GAB.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-E0LL2Y.exe
+
+xdrf/libxdrf.a:
+	cd xdrf && make
+
+
+clean:
+	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
+
+