cmake pgf90

[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..5d8afe6 100644 (file)
--- a/source/cluster/wham/src/Makefile-MPICH-ifort
+++ b/source/cluster/wham/src/Makefile-MPICH-ifort
@@ -1,11 +1,13 @@
-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
@@ -21,17 +23,23 @@ objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.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
+       setup_var.o read_ref_str.o gnmr1.o ssMD.o dfa.o
 
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DCLUST \
        -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
 GAB: $(objects) xdrf/libxdrf.a
-       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-GAB.exe
+       cc -o compinfo compinfo.c
+       ./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 \
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DCLUST \
        -DSPLITELE -DLANG0
 E0LL2Y: $(objects) xdrf/libxdrf.a
-       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPICH-E0LL2Y.exe
+       cc -o compinfo compinfo.c
+       ./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