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/software/mpich-1.2.7p1_intel-10.1_em64_ssh
20 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
21 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
22 FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
23 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
26 BIN = ../bin/unres_Tc_procor_new_em64_nh_hremd_92110.exe
27 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -lpthread
37 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
40 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
41 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
42 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
43 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
44 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
45 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
46 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
47 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
48 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
49 indexx.o MP.o compare_s1.o prng_32.o \
50 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
51 sc_move.o local_move.o \
52 intcartderiv.o lagrangian_lesyng.o\
53 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
54 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
58 cc -o compinfo compinfo.c
60 ${FC} ${FFLAGS} cinfo.f
61 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
68 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
71 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
74 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
77 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
80 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
83 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
85 together.o: together.F
86 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
89 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
91 chainbuild.o: chainbuild.F
92 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
95 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
97 parmread.o : parmread.F
98 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
101 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
103 cartder.o : cartder.F
104 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
106 readpdb.o : readpdb.F
107 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
110 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
113 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
116 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
118 energy_p_new_barrier.o : energy_p_new_barrier.F
119 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
121 gradient_p.o : gradient_p.F
122 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
124 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
125 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
127 lagrangian_lesyng.o : lagrangian_lesyng.F
128 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
130 MD_A-MTS.o : MD_A-MTS.F
131 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
134 ${FC} ${FFLAGS1} blas.f
137 ${FC} ${FFLAGS1} add.f
140 ${FC} ${FFLAGS2} eigen.f
142 proc_proc.o: proc_proc.c
143 ${CC} ${CFLAGS} proc_proc.c