1 ###################################################################
2 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
6 FC = /opt/cray/craype/2.5.3/bin/ftn
11 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
12 #FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
15 FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include
16 FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL_DIR)/include
20 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
21 #/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
27 @echo "Specify force field: GAB, 4P or E0LL2Y"
32 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
35 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
36 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
37 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
38 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
39 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
40 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
41 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
42 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
43 MP.o compare_s1.o prng_32.o \
44 banach.o rmsd.o elecont.o dihed_cons.o \
45 sc_move.o local_move.o \
46 intcartderiv.o lagrangian_lesyng.o\
47 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
48 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
49 q_measure.o gnmr1.o test.o ssMD.o
51 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
52 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC\
54 GAB: BIN = /lustre/tetyda/home/liwo/bin/unres_intel_MPI_GAB.exe
55 GAB: ${object} xdrf/libxdrf.a
56 cc -o compinfo compinfo.c
58 ${FC} ${FFLAGS} cinfo.f
59 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
61 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
63 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
64 E0LL2Y: ${object} xdrf/libxdrf.a
65 cc -o compinfo compinfo.c
67 ${FC} ${FFLAGS} cinfo.f
68 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
71 cd ../../lib/xdrf && make
75 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
78 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
80 chainbuild.o: chainbuild.F
81 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
84 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
86 parmread.o : parmread.F
87 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
90 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
93 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
96 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
99 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
102 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
105 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
107 energy_p_new_barrier.o : energy_p_new_barrier.F
108 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
110 gradient_p.o : gradient_p.F
111 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
113 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
114 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
116 lagrangian_lesyng.o : lagrangian_lesyng.F
117 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
119 MD_A-MTS.o : MD_A-MTS.F
120 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
123 ${FC} ${FFLAGS1} blas.f
126 ${FC} ${FFLAGS1} add.f
129 ${FC} ${FFLAGS2} eigen.f
131 proc_proc.o: proc_proc.c
132 ${CC} ${CFLAGS} proc_proc.c