-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users/local/mpich2-1.4.1p1_intel
+BIN=../../../../bin/cluster
FC = ifort
-OPT = -O3 -ip -w
+OPT = -O3 -ip -w -mcmodel=medium -shared-intel
#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 -lmpl
.c.o:
cc -c -DLINUX -DPGI $*.c
.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