source/unres/src_MD/Makefile_nostromo

   1 #
   2 FC = mpixlf77
   3 OPT =  -O4 -qarch=qp -qtune=qp -qnocr
   4 #OPT =  -O3 -qarch=qp -qtune=qp -qdebug=function_trace
   5 #OPT =  -O -qarch=qp -qtune=qp
   6 #OPT = -O0 -C -g -qarch=qp -qtune=qp #-qdebug=function_trace
   7 #-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
   8 #-Mprefetch=distance:8,nta
   9
  10 #OPT1 = -O -g -qarch=qp -qtune=qp
  11 #OPT1 = -O -g -qarch=qp -qtune=qp -qdebug=function_trace
  12 OPT1 = ${OPT}
  13 #OPT2 = -O2 -qarch=qp -qtune=qp
  14 #OPT2 = -O2 -qarch=qp -qtune=qp -qdebug=function_trace
  15 OPT2 = ${OPT}
  16 #OPTE = -O4 -qarch=qp -qtune=qp
  17 #OPTE = -O4 -qarch=qp -qtune=qp
  18 OPTE=${OPT}
  19
  20 CFLAGS = -c
  21 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
  22 FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
  23 FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
  24 FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
  25
  26 LIBS = xdrf/libxdrf.a
  27
  28 ARCH = LINUX
  29 PP = /lib/cpp -P
  30
  31
  32 all: unres
  33
  34 .SUFFIXES: .F
  35 .F.o:
  36         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  37
  38
  39 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
  40         matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
  41         pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
  42         cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
  43         energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
  44         cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
  45         mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
  46         eigen.o blas.o add.o entmcm.o minim_mcmf.o \
  47         MP.o compare_s1.o prng_32.o \
  48         banach.o rmsd.o elecont.o dihed_cons.o \
  49         sc_move.o local_move.o \
  50         intcartderiv.o lagrangian_lesyng.o\
  51         stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
  52         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
  53         q_measure.o gnmr1.o test.o ssMD.o
  54
  55 no_option:
  56
  57 GAB: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
  58         -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC
  59 GAB: BIN = ../../../bin/unres/unres_xlf77_MPI_GAB.exe
  60 GAB: ${object} xdrf/libxdrf.a
  61         cc -o compinfo compinfo.c
  62         ./compinfo | true
  63         ${FC} ${FFLAGS} cinfo.f
  64         ${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
  65
  66 4P: CPPFLAGS = -WF,-DAIX, -WF,-DLINUX -WF,-DPGI -WF,-DAMD64 -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
  67         -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC
  68 4P-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_4P.exe
  69 4P-DFA: ${object} xdrf/libxdrf.a
  70         cc -o compinfo compinfo.c
  71         ./compinfo | true
  72         ${FC} ${FFLAGS} cinfo.f
  73         ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
  74
  75 E0LL2Y: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
  76         -WF,-DSPLITELE -WF,-DLANG0
  77 E0LL2Y: BIN = ../../../bin/unres_xlf77_MPI_E0LL2Y.exe
  78 E0LL2Y: ${object} xdrf/libxdrf.a
  79         cc -o compinfo compinfo.c
  80         ./compinfo | true
  81         ${FC} ${FFLAGS} cinfo.f
  82         ${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
  83
  84 GAB-DFA: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
  85         -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC, -WF,-DDFA
  86 GAB-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_GAB-DFA.exe
  87 GAB-DFA: ${object} dfa.o xdrf/libxdrf.a
  88         cc -o compinfo compinfo.c
  89         ./compinfo | true
  90         ${FC} ${FFLAGS} cinfo.f
  91         ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
  92
  93 4P-DFA: CPPFLAGS = -WF,-DAIX, -WF,-DLINUX -WF,-DPGI -WF,-DAMD64 -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
  94         -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC -WF,-DDFA
  95 4P-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_4P-DFA.exe
  96 4P-DFA: ${object} dfa.o xdrf/libxdrf.a
  97         cc -o compinfo compinfo.c
  98         ./compinfo | true
  99         ${FC} ${FFLAGS} cinfo.f
 100         ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
 101
 102 E0LL2Y-DFA: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
 103         -WF,-DSPLITELE -WF,-DLANG0 -WF,-DDFA
 104 #E0LL2Y-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_E0LL2Y.exe
 105 E0LL2Y-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y-DFA.exe
 106 E0LL2Y-DFA: ${object} dfa.o xdrf/libxdrf.a
 107         cc -o compinfo compinfo.c
 108         ./compinfo | true
 109         ${FC} ${FFLAGS} cinfo.f
 110         ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS}  -o ${BIN}
 111
 112
 113 xdrf/libxdrf.a:
 114         cd xdrf && make
 115
 116
 117 clean:
 118         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 119
 120 test.o: test.F
 121         ${FC} ${FFLAGS} ${CPPFLAGS} test.F
 122
 123 chainbuild.o: chainbuild.F
 124         ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
 125
 126 matmult.o: matmult.f
 127         ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
 128
 129 parmread.o : parmread.F
 130         ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
 131
 132 intcor.o : intcor.f
 133         ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
 134
 135 cartder.o : cartder.F
 136         ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
 137
 138 readpdb.o : readpdb.F
 139         ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
 140
 141 sumsld.o : sumsld.f
 142         ${FC} ${FFLAGS2} ${CPPFLAGS} -vec-report2   sumsld.f
 143
 144 cored.o : cored.f
 145         ${FC} ${FFLAGS2} ${CPPFLAGS} cored.f
 146
 147 rmdd.o : rmdd.f
 148         ${FC} ${FFLAGS2} ${CPPFLAGS} rmdd.f
 149
 150 energy_p_new_barrier.o : energy_p_new_barrier.F
 151         ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
 152
 153 gradient_p.o : gradient_p.F
 154         ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
 155
 156 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
 157         ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
 158
 159 lagrangian_lesyng.o : lagrangian_lesyng.F
 160         ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
 161
 162 MD_A-MTS.o : MD_A-MTS.F
 163         ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
 164
 165 blas.o : blas.f
 166         ${FC} ${FFLAGS1} blas.f
 167
 168 add.o : add.f
 169         ${FC} ${FFLAGS1} add.f
 170
 171 eigen.o : eigen.f
 172         ${FC} ${FFLAGS2} eigen.f
 173
 174 proc_proc.o: proc_proc.c
 175         ${CC} ${CFLAGS} proc_proc.c