X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2FMakefile_MPICH_ifort;h=671293e4c222f4821340c0304b793598d94c8599;hb=ff639b60bc8a1c011c8fed81bc1f82e4b35f4e2a;hp=07ffac6f3e2812db96ad19da0b181efbfe03ee93;hpb=a67fb1c3d80e370d951bfa338356af720229eb6c;p=unres.git

diff --git a/source/wham/src-M/Makefile_MPICH_ifort b/source/wham/src-M/Makefile_MPICH_ifort
index 07ffac6..671293e 100644
--- a/source/wham/src-M/Makefile_MPICH_ifort
+++ b/source/wham/src-M/Makefile_MPICH_ifort
@@ -1,10 +1,11 @@
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
-BIN = ../../../bin/wham
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users2/local/mpich2-1.4.1p1_intel
+BIN = ./
 FC= ifort
-OPT = -mcmodel=medium -O3 -ip -w 
-#OPT = -mcmodel=medium -g -CB
+#OPT = -mcmodel=medium -O3 -ip -w 
+OPT = -mcmodel=medium -g -CB -ip -w
 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
@@ -47,7 +48,8 @@ objects = \
 	timing.o \
 	read_dist_constr.o \
 	permut.o \
-	wham_calc1.o
+	wham_calc1.o \
+	ssMD.o
 
 objects_compar = \
         readrtns_compar.o \
@@ -62,7 +64,7 @@ all: no_option
 no_option:
 
 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
-	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
+	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
 	./compinfo
@@ -71,7 +73,7 @@ GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH-GAB.exe
 
 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
-	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
+	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
 	./compinfo
@@ -79,13 +81,13 @@ GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
 	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 	${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-4P.exe
 
-E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
+E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64
 E0LL2Y: ${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-mult_ifort_MPICH_D-E0LL2Y.exe
+	${LIBS} -shared-intel -o ${BIN}/wham-mult_ifort_MPICH_D-E0LL2Y.exe
 
 xdrf/libxdrf.a:
 	cd xdrf && make