Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / source / wham / src / Makefile_MPICH_ifort

diff --git a/source/wham/src/Makefile_MPICH_ifort b/source/wham/src/Makefile_MPICH_ifort
index 1d4a159..7ef235d 100644 (file)
--- 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 \
@@ -54,22 +55,36 @@ 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
        ${FC} -c ${FFLAGS} cinfo.f
        $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
-       ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_GAB-DEBUG.exe
+       ${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
 
-E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 
+E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
 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_ifort_MPICH_E0LL2Y-DEBUG.exe
+       ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_E0LL2Y.exe
 
 xdrf/libxdrf.a:
        cd xdrf && make