1 INSTALL_DIR = /users/software/mpich-1.2.7p1_pgi_9.0_64bit_ssh
4 #OPT = -mcmodel=medium -Mlarge_arrays -fast -pc 64 -tp amd64 -C -g
5 OPT = -mcmodel=medium -Mlarge_arrays -tp amd64
6 #FFLAGS = ${OPT} -g -c -I. -I./include_unres -I$(INSTALL_DIR)/include
7 FFLAGS = ${OPT} -c -C -g -I. -I./include_unres -I$(INSTALL_DIR)/include
8 #FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
9 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
15 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
55 readpdb.o fitsq.o contact.o \
56 elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
57 angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
58 rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
61 @echo "Specify force field: GAB, 4P or E0LL2Y"
65 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
66 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
67 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
68 cc -o compinfo compinfo.c
70 ${FC} -c ${FFLAGS} cinfo.f
71 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
72 ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_GAB.exe
74 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
75 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
76 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
77 cc -o compinfo compinfo.c
79 ${FC} -c ${FFLAGS} cinfo.f
80 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
81 ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_4P.exe
83 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
84 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
85 cc -o compinfo compinfo.c
87 ${FC} -c ${FFLAGS} cinfo.f
88 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
89 ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_E0LL2Y.exe
96 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean