1 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
3 OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
4 #OPT = -CB -g -mcmodel=medium -shared-intel -dynamic
5 FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
6 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
9 cc -c -DLINUX -DPGI $*.c
15 ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
17 object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
18 matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
19 geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \
20 track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
21 int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
22 setup_var.o read_ref_str.o gnmr1.o permut.o seq2chains.o \
23 chain_symmetry.o iperm.o rmscalc.o rmsnat.o TMscore.o ssMD.o refsys.o \
24 read_constr_homology.o
27 @echo "Specify force field: GAB, 4P or E0LL2Y"
31 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
32 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
33 GAB: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_GAB-SAXS-MRAMB-Bfac.exe
34 GAB: ${object} xdrf/libxdrf.a
35 gcc -o compinfo compinfo.c
37 ${FC} ${FFLAGS} cinfo.f
38 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
40 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
41 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
42 4P: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_4P-SAXS-homologyexe
43 4P: ${object} xdrf/libxdrf.a
44 gcc -o compinfo compinfo.c
46 ${FC} ${FFLAGS} cinfo.f
47 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
49 E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
50 -DCLUST -DSPLITELE -DLANG0
51 E0LL2Y: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-SAXS-homology.exe
52 E0LL2Y: ${object} xdrf/libxdrf.a
53 gcc -o compinfo compinfo.c
55 ${FC} ${FFLAGS} cinfo.f
56 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
58 E0LL2Y_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
59 -DCLUST -DSPLITELE -DLANG0 -DDFA
60 E0LL2Y_DFA: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-SAXS-homology-DFA.exe
61 E0LL2Y_DFA: ${object} dfa.o xdrf/libxdrf.a
62 gcc -o compinfo compinfo.c
64 ${FC} ${FFLAGS} cinfo.f
65 $(FC) ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
67 NEWCORR: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
68 -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR
69 #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
70 NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-corrCD-SAXS-homology.exe
71 #NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe
72 NEWCORR: ${object} xdrf/libxdrf.a
73 gcc -o compinfo compinfo.c
75 ${FC} ${FFLAGS} cinfo.f
76 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
78 NEWCORR_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
79 -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR -DDFA
80 #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
81 NEWCORR_DFA: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-corrCD-SAXS-homology-DFA.exe
82 #NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe
83 NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a
84 gcc -o compinfo compinfo.c
86 ${FC} ${FFLAGS} cinfo.f
87 $(FC) ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
94 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean