1 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
4 #OPT = -intel-static -mcmodel=medium -O3 -ip -w
5 OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
7 OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
8 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
9 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
15 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
57 readpdb.o fitsq.o contact.o \
58 elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
59 angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
60 rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
63 @echo "Specify force field: GAB, 4P or E0LL2Y"
67 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
68 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
69 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
70 gcc -o compinfo compinfo.c
72 ${FC} -c ${FFLAGS} cinfo.f
73 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
74 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB.exe
76 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
77 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
78 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
79 gcc -o compinfo compinfo.c
81 ${FC} -c ${FFLAGS} cinfo.f
82 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
83 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P.exe
85 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
86 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
87 gcc -o compinfo compinfo.c
89 ${FC} -c ${FFLAGS} cinfo.f
90 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
91 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y.exe
93 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
94 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
95 gcc -o compinfo compinfo.c
97 ${FC} -c ${FFLAGS} cinfo.f
98 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
99 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-adapt-fouriertor-corrCD-1600-DEBUG1.exe
106 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean