1 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
2 -DPGI -DSPLITELE -DISNAN -DAMD64 \
5 # -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
13 #INSTALL_DIR = /usr/local/mpich-1.2.0
14 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
16 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
24 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
25 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
26 FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
27 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
29 BIN = ../../../bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe
30 #LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
31 #LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
32 LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf_em64/libxdrf.a -g -d2 -CA -CB
42 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
45 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
46 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
47 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
48 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
49 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
50 cored.o rmdd.o geomout.o readpdb.o permut.o regularize.o thread.o fitsq.o mcm.o \
51 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
52 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
53 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
54 indexx.o MP.o compare_s1.o prng_32.o \
55 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
56 sc_move.o local_move.o \
57 intcartderiv.o lagrangian_lesyng.o\
58 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
59 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
62 unres: ${object} proc_proc.o
63 cc -o compinfo compinfo.c
65 ${FC} ${FFLAGS} cinfo.f
66 ${FC} ${OPT} -Wl,-M ${object} proc_proc.o cinfo.o ${LIBS} -o ${BIN}
73 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
76 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
79 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
82 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
85 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
88 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
90 together.o: together.F
91 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
94 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
96 chainbuild.o: chainbuild.F
97 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
100 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
102 parmread.o : parmread.F
103 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
106 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
108 cartder.o : cartder.F
109 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
111 readpdb.o : readpdb.F
112 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
115 ${FC} ${FFLAGS2} ${CPPFLAGS} permut.F
118 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
121 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
124 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
126 energy_p_new.o : energy_p_new.F
127 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
129 lagrangian_lesyng.o : lagrangian_lesyng.F
130 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
132 proc_proc.o: proc_proc.c
133 ${CC} ${CFLAGS} proc_proc.c