-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 = /users2/local/mpich2-1.4.1p1_intel
BIN = ../../../bin/wham
FC= ifort
OPT = -mcmodel=medium -O3 -ip -w
-#OPT = -mcmodel=medium -g -CB
+#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
timing.o \
read_dist_constr.o \
permut.o \
- wham_calc1.o
+ wham_calc1.o \
+ ssMD.o
objects_compar = \
readrtns_compar.o \
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
${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
$(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