1 ###################################################################
2 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
5 FC = /opt/cray/craype/2.5.3/bin/ftn
10 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
11 #FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
14 FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include
15 FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL_DIR)/include
19 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
20 #/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
26 @echo "Specify force field: GAB, 4P or E0LL2Y"
31 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
34 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
35 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
36 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
37 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
38 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
39 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
40 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
41 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
42 MP.o compare_s1.o prng_32.o \
43 banach.o rmsd.o elecont.o dihed_cons.o \
44 sc_move.o local_move.o \
45 intcartderiv.o lagrangian_lesyng.o\
46 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
47 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
48 q_measure.o gnmr1.o test.o
50 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
51 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC\
53 GAB: BIN = ~/unres_intel_MPI_GAB.exe
54 GAB: ${object} xdrf/libxdrf.a
55 cc -o compinfo compinfo.c
57 ${FC} ${FFLAGS} cinfo.f
58 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
60 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
62 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
63 E0LL2Y: ${object} xdrf/libxdrf.a
64 cc -o compinfo compinfo.c
66 ${FC} ${FFLAGS} cinfo.f
67 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
70 cd ../../lib/xdrf && make
74 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
77 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
79 chainbuild.o: chainbuild.F
80 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
83 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
85 parmread.o : parmread.F
86 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
89 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
92 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
95 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
98 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
101 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
104 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
106 energy_p_new_barrier.o : energy_p_new_barrier.F
107 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
109 gradient_p.o : gradient_p.F
110 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
112 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
113 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
115 lagrangian_lesyng.o : lagrangian_lesyng.F
116 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
118 MD_A-MTS.o : MD_A-MTS.F
119 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
122 ${FC} ${FFLAGS1} blas.f
125 ${FC} ${FFLAGS1} add.f
128 ${FC} ${FFLAGS2} eigen.f
130 proc_proc.o: proc_proc.c
131 ${CC} ${CFLAGS} proc_proc.c