3 OPT = -O3 -ip -mcmodel=medium -shared-intel
5 #OPT = -g -CA -CB -mcmodel=medium -shared-intel
7 FFLAGS = -c ${OPT} -Iinclude_unres
8 FFLAGS1 = -c -g -CA -CB -mcmodel=medium -shared-intel
11 LIBS = -lmpi xdrf/libxdrf.a
14 cc -c -DLINUX -DPGI $*.c
20 ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
22 object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
23 matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
24 geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \
25 track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
26 int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
27 setup_var.o read_ref_str.o gnmr1.o permut.o rmsnat.o TMscore.o ssMD.o oligomer.o
30 @echo "Specify force field: GAB, 4P or E0LL2Y"
34 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
35 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
36 GAB: BIN = ~/unres/bin/unres_clustMD-mult_ifort_MPICH_GAB-SAXS-MRAMB-Bfac.exe
37 GAB: ${object} xdrf/libxdrf.a
38 gcc -o compinfo compinfo.c
40 ${FC} ${FFLAGS} cinfo.f
41 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
43 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
44 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
45 4P: BIN = ~/unres/bin/unres_clustMD-mult_ifort_MPICH_4P-SAXS-MRSAMB-Bfac.exe
46 4P: ${object} xdrf/libxdrf.a
47 gcc -o compinfo compinfo.c
49 ${FC} ${FFLAGS} cinfo.f
50 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
52 E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
53 -DCLUST -DSPLITELE -DLANG0
54 E0LL2Y: BIN = ~/unres/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-SAXS-MRAMB-Bfac.exe
55 E0LL2Y: ${object} xdrf/libxdrf.a
56 gcc -o compinfo compinfo.c
58 ${FC} ${FFLAGS} cinfo.f
59 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
61 NEWCORR: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
62 -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR
63 NEWCORR: BIN = ~/unres/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-SAXS-MRAMB-Bfac.exe
64 NEWCORR: ${object} xdrf/libxdrf.a
65 gcc -o compinfo compinfo.c
67 ${FC} ${FFLAGS} cinfo.f
68 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
75 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean