1 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
2 FC = /opt/cray/craype/2.5.3/bin/ftn
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 ssMD.o TMscore.o rmsnat.o
25 @echo "Specify force field: GAB, 4P or E0LL2Y"
29 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
30 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
31 GAB: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_GAB-SAXS.exe
32 GAB: ${object} xdrf/libxdrf.a
33 gcc -o compinfo compinfo.c
35 ${FC} ${FFLAGS} cinfo.f
36 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
38 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
39 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
40 4P: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_4P-homology-SAXS.exe
41 4P: ${object} xdrf/libxdrf.a
42 gcc -o compinfo compinfo.c
44 ${FC} ${FFLAGS} cinfo.f
45 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
47 E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
48 -DCLUST -DSPLITELE -DLANG0
49 E0LL2Y: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_E0LL2Y-homology-SAXS-MRAMB.exe
50 E0LL2Y: ${object} xdrf/libxdrf.a
51 gcc -o compinfo compinfo.c
53 ${FC} ${FFLAGS} cinfo.f
54 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
56 NEWCORR: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
57 -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR
58 #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
59 NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-homology-fouriertor-corrCD-SAXS-MRAMB.exe
60 #NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe
61 NEWCORR: ${object} xdrf/libxdrf.a
62 gcc -o compinfo compinfo.c
64 ${FC} ${FFLAGS} cinfo.f
65 $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
72 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean