X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FMakefile_MPICH_ifort;h=7ef235d44f818c1aab1f913b401b98de94b11a68;hb=9ab6a6c94ffa93357b777d7a01615bc2cb964622;hp=0635d4d39cc8445683e4f3e2880bdd2527e4d110;hpb=349f6fe2d435277d26d84f388aa8b4312a1f9a04;p=unres.git

diff --git a/source/wham/src/Makefile_MPICH_ifort b/source/wham/src/Makefile_MPICH_ifort
index 0635d4d..7ef235d 100644
--- a/source/wham/src/Makefile_MPICH_ifort
+++ b/source/wham/src/Makefile_MPICH_ifort
@@ -1,7 +1,7 @@
 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 BIN = ../../../bin/wham
 FC= ifort
-OPT = -mcmodel=medium -O3 -ip -w
+OPT = -mcmodel=medium -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
@@ -45,7 +45,8 @@ objects = \
 	slices.o \
 	store_parm.o \
 	timing.o \
-	wham_calc1.o
+	wham_calc1.o \
+	ssMD.o
 
 objects_compar = \
         readrtns_compar.o \
@@ -54,8 +55,13 @@ 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
+	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
 	./compinfo
@@ -63,7 +69,16 @@ GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 	${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_GAB.exe
 
-E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 
+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
+
+E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
 	./compinfo