1 CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DMP -DMPI -DPGI -DISNAN \
2 -DSPLITELE -DAMD64 -DLANG0
3 # -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
8 # -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
13 INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1/
14 #INSTALL_DIR = /users/local/mpich2-1.3.1/
15 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
16 #INSTALL_DIR = /users/software/mpich2.x86_64/
23 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
24 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
25 FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
26 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
29 BIN = ../../../bin/unres/MD/unres_ifort_mpich-1.2.7p1.exe
30 #LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -lmpl
31 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
41 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
44 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
45 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
46 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
47 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
48 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
49 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
50 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
51 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
52 MP.o compare_s1.o prng_32.o \
53 banach.o rmsd.o elecont.o dihed_cons.o \
54 sc_move.o local_move.o \
55 intcartderiv.o lagrangian_lesyng.o\
56 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
57 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
58 q_measure.o gnmr1.o test.o
60 unres: ${object} xdrf/libxdrf.a
61 cc -o compinfo compinfo.c
63 ${FC} ${FFLAGS} cinfo.f
64 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
74 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
76 chainbuild.o: chainbuild.F
77 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
80 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
82 parmread.o : parmread.F
83 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
86 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
89 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
92 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
95 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
98 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
101 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
103 energy_p_new_barrier.o : energy_p_new_barrier.F
104 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
106 gradient_p.o : gradient_p.F
107 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
109 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
110 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
112 lagrangian_lesyng.o : lagrangian_lesyng.F
113 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
115 MD_A-MTS.o : MD_A-MTS.F
116 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
119 ${FC} ${FFLAGS1} blas.f
122 ${FC} ${FFLAGS1} add.f
125 ${FC} ${FFLAGS2} eigen.f
127 proc_proc.o: proc_proc.c
128 ${CC} ${CFLAGS} proc_proc.c