1 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
2 -DPGI -DSPLITELE -DISNAN \
3 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
10 #INSTALL_DIR = /usr/local/mpich-1.2.0
11 INSTALL_DIR = /usr/local/mpich-1.2.7p1_intel-8.0_ssh
13 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
16 OPT = -O3 -ip -w -pc64 -tpp6
18 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
19 FFLAGS1 = -c -tpp6 -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
20 FFLAGS2 = -c -tpp6 -w -O0 -I$(INSTALL_DIR)/include
21 FFLAGSE = -c -tpp6 -w -O3 -ipo -ipo_obj -pc64 -opt_report -I$(INSTALL_DIR)/include
23 BIN = unres_Tc_noprocor.exe
24 #LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
25 #LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
26 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
35 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
38 objectCSA = unres_CSA.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
39 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
40 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
41 cartder.o checkder_p.o energy_p_new.o gradient_p.o minimize_p.o sumsld.o \
42 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
43 mc.o bond_move.o refsys.o check_sc_distr.o contact.o djacob.o \
44 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
45 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
46 indexx.o MP.o compare_s1.o prng_32.o \
47 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
48 sc_move.o local_move.o \
49 intcartderiv.o lagrangian_lesyng.o\
50 stochfric.o kinetic_lesyng.o MD.o moments.o int_to_cart.o \
51 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split.o \
52 q_measure3.o econstr_local.o gnmr1.o check_sc_map.o check_bond.o
54 unresCSA: ${objectCSA}
55 cc -o compinfo compinfo.c
57 ${FC} ${FFLAGS} cinfo.f
58 ${FC} -static-libcxa ${OPT} ${objectCSA} cinfo.o ${LIBS} -o ${BIN}
66 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
69 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
72 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
75 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
78 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
81 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
83 together.o: together.F
84 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
87 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
89 chainbuild.o: chainbuild.F
90 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
93 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
95 parmread.o : parmread.F
96 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
99 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
101 cartder.o : cartder.F
102 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
104 readpdb.o : readpdb.F
105 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
108 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
111 ${FC} ${FFLAGS} ${CPPFLAGS} cored.f
114 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
116 energy_p_new.o : energy_p_new.F
117 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
119 lagrangian_lesyng.o : lagrangian_lesyng.F
120 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
122 readrtns_CSA.o : readrtns_CSA.F
123 ${FC} ${FFLAGS1} ${CPPFLAGS} readrtns_CSA.F
126 ${FC} ${FFLAGS1} ${CPPFLAGS} MREMD.F