1 CPPFLAGS = -WF,-DOLD_GINV \
2 -WF,-DUNRES -WF,-DMP -WF,-DMPI \
3 -WF,-DSPLITELE -WF,-DISNAN \
4 -WF,-DAIX -WF,-DLANG0 -WF,-DPROCOR
12 BGLSYS = /bgl/BlueLight/ppcfloor/bglsys
14 CC = /usr/bin/blrts_xlc
15 CPPC = /usr/bin/blrts_xlc
16 FC = /usr/bin/blrts_xlf90
19 # try -qarch=440 first, then use -qarch=440d for 2nd FPU later on
20 # (SIMDization requires at least -O3)
21 # use -qlist -qsource with 440d and look for Parallel ASM instructions.
23 OPT= -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440 -qfixed -w -qnosave
24 CFLAGS= -O3 -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440
26 FFLAGS= -c -C -g ${OPT}
28 LIBS_MPI = -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
29 LIBSF_MPI = -lmpich.rts -lfmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
31 FFLAGS1 = -c ${OPT} -O2
32 FFLAGS2 = -c ${OPT} -O
33 FFLAGSE = -c ${OPT} -O4
36 BIN = ${HOME}/UNRES/bin/unres_Tc_procor_150aa_newparm.rts
37 LIBS = ${LIBSF_MPI} xdrf/libxdrf.a
47 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
50 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
51 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
52 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
53 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
54 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
55 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
56 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
57 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
58 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
59 indexx.o MP.o compare_s1.o prng.o \
60 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
61 sc_move.o local_move.o \
62 intcartderiv.o lagrangian_lesyng.o\
63 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
64 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
68 cc -o compinfo compinfo.c
70 ${FC} ${FFLAGS} cinfo.f
71 ${FC} ${OPT} ${objectCSA} cinfo.o ${LIBS} -o ${BIN}
78 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
81 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
84 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
87 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
90 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
93 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
95 together.o: together.F
96 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
99 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
101 chainbuild.o: chainbuild.F
102 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
105 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
107 parmread.o : parmread.F
108 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
111 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
113 cartder.o : cartder.F
114 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
116 readpdb.o : readpdb.F
117 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
120 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
123 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
126 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
128 energy_p_new.o : energy_p_new.F
129 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
131 lagrangian_lesyng.o : lagrangian_lesyng.F
132 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
135 ${FC} ${FFLAGS2} ${CPPFLAGS} eigen.f
138 ${FC} ${FFLAGS2} ${CPPFLAGS} blas.f
141 ${FC} ${FFLAGS2} ${CPPFLAGS} add.f