1 CPPFLAGS = -WF,-DUNRES -WF,-DMP -WF,-DMPI -WF,-DSPLITELE -WF,-DISNAN -WF,-DAIX
10 FC= mpxlf90 -qfixed -w
14 FFLAGS = -c ${OPT} -O3
15 FFLAGS1 = -c ${OPT} -O2
16 FFLAGS2 = -c ${OPT} -O
17 FFLAGSE = -c ${OPT} -O4
20 BIN = ${HOME}/UNRES/bin/unres_MD.exe
30 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
33 objectCSA = unres_CSA.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
34 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
35 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
36 cartder.o checkder_p.o energy_p_new.o gradient_p.o minimize_p.o sumsld.o \
37 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
38 mc.o bond_move.o refsys.o check_sc_distr.o contact.o djacob.o \
39 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
40 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
41 indexx.o MP.o compare_s1.o prng_32.o \
42 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
43 sc_move.o local_move.o \
44 intcartderiv.o lagrangian_lesyng.o\
45 stochfric.o kinetic_lesyng.o MD.o REMD.o moments.o int_to_cart.o \
46 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split.o \
49 unresCSA: ${objectCSA}
50 cc -o compinfo compinfo.c
52 ${FC} ${FFLAGS} cinfo.f
53 ${FC} ${OPT} ${objectCSA} cinfo.o ${LIBS} -o ${BIN}
61 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
64 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
67 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
70 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
73 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
76 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
78 together.o: together.F
79 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
82 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
84 chainbuild.o: chainbuild.F
85 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
88 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
90 parmread.o : parmread.F
91 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
94 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
97 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
100 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.f
103 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
106 ${FC} ${FFLAGS} ${CPPFLAGS} cored.f
109 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
111 energy_p_new.o : energy_p_new.F
112 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F