1 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
3 FC= /opt/cray/craype/2.5.3/bin/ftn
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
58 readpdb.o fitsq.o contact.o \
59 elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
60 angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
61 rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
64 @echo "Specify force field: GAB, 4P or E0LL2Y"
68 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
69 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
70 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
71 gcc -o compinfo compinfo.c
73 ${FC} -c ${FFLAGS} cinfo.f
74 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
75 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS.exe
77 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
78 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
79 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
80 gcc -o compinfo compinfo.c
82 ${FC} -c ${FFLAGS} cinfo.f
83 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
84 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS.exe
86 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
87 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
88 gcc -o compinfo compinfo.c
90 ${FC} -c ${FFLAGS} cinfo.f
91 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
92 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS-NMRAMB-3300.exe
94 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
95 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
96 gcc -o compinfo compinfo.c
98 ${FC} -c ${FFLAGS} cinfo.f
99 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
100 ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-adapt-fouriertor-corrCD-SAXS-NMRAMB.exe
107 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean