X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FMakefile_MPICH_ifort;h=5c9f1a7eb27b03f3cfd1beca1102376550870712;hb=refs%2Fheads%2Fhomology;hp=7ef235d44f818c1aab1f913b401b98de94b11a68;hpb=4f83f263b2f7b12464872dde2641f9481eb461b5;p=unres.git

diff --git a/source/wham/src/Makefile_MPICH_ifort b/source/wham/src/Makefile_MPICH_ifort
index 7ef235d..5c9f1a7 100644
--- a/source/wham/src/Makefile_MPICH_ifort
+++ b/source/wham/src/Makefile_MPICH_ifort
@@ -1,10 +1,11 @@
-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/wham
 FC= ifort
-OPT = -mcmodel=medium -O3 -ip -w 
+OPT = -mcmodel=medium -shared-intel -O3 -ip -w 
 #OPT = -mcmodel=medium -g -CB
 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
-LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a
 
 .f.o:
 	${FC} ${FFLAGS} $*.f
@@ -46,6 +47,7 @@ objects = \
 	store_parm.o \
 	timing.o \
 	wham_calc1.o \
+	dfa.o \
 	ssMD.o
 
 objects_compar = \
@@ -55,11 +57,6 @@ objects_compar = \
         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
 
-all: no_option
-	@echo "Specify force field: GAB, 4P or E0LL2Y"
-
-no_option:
-
 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
 	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
@@ -67,16 +64,7 @@ GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	./compinfo
 	${FC} -c ${FFLAGS} cinfo.f
 	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
-	${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_GAB.exe
-
-4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
-	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
-4P: ${objects} ${objects_compar} xdrf/libxdrf.a
-	cc -o compinfo compinfo.c
-	./compinfo
-	${FC} -c ${FFLAGS} cinfo.f
-	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
-	${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_4P.exe
+	${LIBS} -o ${BIN}/wham_ifort_MPICH-restr-DFA_GAB.exe
 
 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
@@ -84,7 +72,7 @@ E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 	./compinfo
 	${FC} -c ${FFLAGS} cinfo.f
 	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
-	${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_E0LL2Y.exe
+	${LIBS} -o ${BIN}/wham_ifort_MPICH-restr-DFA_E0LL2Y.exe
 
 xdrf/libxdrf.a:
 	cd xdrf && make