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/software/mpich-1.2.7p1_intel-10.1_em64_ssh
15 #INSTALL_DIR = /users/software/mpich2.x86_64/
16 #INSTALL_DIR = /opt/mpi/mvapich2
17 INSTALL_DIR = /opt/mpi/mvapich
20 FCL= ${INSTALL_DIR}/bin/mpif77
22 OPT = -O3 -ip -w -xHost
24 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
25 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
26 FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
27 FFLAGSE = -c -w -xHost -O3 -ipo -ipo_obj -no-prec-div -opt_report -I$(INSTALL_DIR)/include
30 BIN = ../bin/unres_Tc_procor_new_em64_hremd_mpich1.exe
31 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -lpthread
41 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
44 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
45 matmult.o readrtns_CSA.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 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
53 indexx.o MP.o compare_s1.o prng_32.o \
54 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
55 sc_move.o local_move.o \
56 intcartderiv.o lagrangian_lesyng.o\
57 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
58 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
62 cc -o compinfo compinfo.c
64 ${FC} ${FFLAGS} cinfo.f
65 ${FCL} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
72 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
75 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
78 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
81 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
84 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
87 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
89 together.o: together.F
90 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
93 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
95 chainbuild.o: chainbuild.F
96 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
99 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
101 parmread.o : parmread.F
102 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
105 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
107 cartder.o : cartder.F
108 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
110 readpdb.o : readpdb.F
111 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
114 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
117 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
120 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
122 energy_p_new_barrier.o : energy_p_new_barrier.F
123 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
125 gradient_p.o : gradient_p.F
126 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
128 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
129 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
131 lagrangian_lesyng.o : lagrangian_lesyng.F
132 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
134 MD_A-MTS.o : MD_A-MTS.F
135 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
138 ${FC} ${FFLAGS1} blas.f
141 ${FC} ${FFLAGS1} add.f
144 ${FC} ${FFLAGS2} eigen.f
146 proc_proc.o: proc_proc.c
147 ${CC} ${CFLAGS} proc_proc.c