1 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
4 #FC = /opt/cray/craype/2.5.3/bin/ftn
6 #FC = /opt/intel/bin/ifort
7 #OPT = -mcmodel=medium -shared-intel -dynamic -g -CA -CB
8 OPT = -O2 -mcmodel=medium -shared-intel -dynamic
9 OPT1 = -O0 -mcmodel=medium -shared-intel -dynamic
10 OPT2 = -O3 -mcmodel=medium -shared-intel -dynamic
15 #OPT2 = -w -O3 -ipo -ipo_obj -opt_report
17 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
18 FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
19 FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
20 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
25 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
92 @echo "Specify force field: GAB, E0LL2Y or NEWCORR"
96 GAB: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST \
97 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
98 GAB: BIN = ${BINDIR}/zscorezMD_maxlik-ifort-GAB.exe
99 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
100 gcc -o compinfo compinfo.c
102 ${FC} ${FFLAGS} cinfo.f
103 ${FC} ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} -o ${BIN}
105 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
106 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
107 gcc -o compinfo compinfo.c
109 ${FC} -c ${FFLAGS} cinfo.f
110 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
111 -o ${BINDIR}/zscorezMD_maxlik-ifort-E0LL2Y.exe
113 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
114 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
115 gcc -o compinfo compinfo.c
117 ${FC} -c ${FFLAGS} cinfo.f
118 $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
119 -o ${BINDIR}/zscorezMD_maxlik-ifort-NEWCORR-splitfourier-PMF-5.exe
122 ${FC} ${FFLAGS1} sumsld.f
125 ${FC} ${FFLAGS1} sumsl_a.f
128 ${FC} ${FFLAGS1} cored.f
131 ${FC} ${FFLAGS1} rmdd.f
133 energy_p_new_sc.o: energy_p_new_sc.F
134 ${FC} ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
136 funder_eello.o: funder_eello.F
137 ${FC} ${FFLAGS2} ${CPPFLAGS} funder_eello.F
139 q_measure1.o: q_measure1.F
140 ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure1.F
142 q_measure_self.o: q_measure_self.F
143 ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
145 averages.o: averages.F
146 ${FC} ${FFLAGS2} ${CPPFLAGS} averages.F
149 ${FC} ${FFLAGS2} fitsq.f
152 ${FC} -Kieee -c isnan.f