Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / source / cluster / wham / src / Makefile-MPICH-ifort

diff --git a/source/cluster/wham/src/Makefile-MPICH-ifort b/source/cluster/wham/src/Makefile-MPICH-ifort
index 624e253..c688216 100644 (file)
--- a/source/cluster/wham/src/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -1,5 +1,4 @@
 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 
@@ -16,27 +15,48 @@ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
 .F.o:
        ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
 
-objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
+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
-
-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
+       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 -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
+       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
+       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