3 OPT = -arch ev67 -tune ev67 -fast -fpe1 -f77
4 OPT1 = -arch ev67 -tune ev67 -fast -fpe1 -f77
5 #OPT1 = -fast -g3 -arch ev67 -fpe4 -f77 -C
6 #OPT = -g3 -arch ev67 -tune ev67 -C -fpe1 -f77
11 BIN = ${HOME}/UNRES/MD/bin/unres_MD_procor-Tc.exe
12 LIBS = -lmpi -lelan xdrf/libxdrf.a
13 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DOSF -DSPLITELE -DPROCOR -DISNAN
14 #CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DOSF -DISNAN -DSPLITELE
27 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
29 ${CC} -c ${CPPFLAGS} $*.c
32 objectCSA = unres_CSA.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
33 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
34 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
35 cartder.o checkder_p.o energy_p_new.o gradient_p.o minimize_p.o sumsld.o \
36 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
37 mc.o bond_move.o refsys.o check_sc_distr.o contact.o djacob.o \
38 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
39 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
40 indexx.o MP.o compare_s1.o prng_32.o \
41 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
42 sc_move.o local_move.o \
43 intcartderiv.o lagrangian_lesyng.o\
44 stochfric.o kinetic_lesyng.o MD.o moments.o int_to_cart.o \
45 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split.o \
48 unresCSA: ${objectCSA}
49 cc -o compinfo compinfo.c
51 ${FC} ${FFLAGS} cinfo.f
52 ${FC} ${OPT} ${objectCSA} cinfo.o ${LIBS} -o ${BIN}
58 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
60 together.o: together.F
61 ${FC} ${FFLAGS1} ${CPPFLAGS} together.F
64 ${FC} ${FFLAGS1} ${CPPFLAGS} test.F
67 ${FC} ${FFLAGS} ${CPPFLAGS} elecont.f
69 gen_rand_conf.o:gen_rand_conf.F
70 ${FC} ${FFLAGS1} ${CPPFLAGS} gen_rand_conf.F
73 ${FC} ${FFLAGS1} ${CPPFLAGS} djacob.f
75 chainbuild.o: chainbuild.F
76 ${FC} ${FFLAGS1} ${CPPFLAGS} chainbuild.F
78 ${FC} ${FFLAGS1} ${CPPFLAGS} cartder.F