source/cluster/Makefile_old

   1 INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
   2 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
   3 #BIN=../bin
   4 #FC = ifort
   5 FC= ${INSTALL_DIR}/bin/mpif90
   6 OPT = -O3 -ip -w
   7 DEB = -g -CA -CB -check pointer #-check uninit
   8 #OPT =  -O3 #-ip
   9 FFLAGS = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
  10 FFLAGSE = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
  11 FFLAGS2 = -fpp -c -g -CA -CB #-O0
  12 #OPT = -CB -g
  13 #FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
  14 #CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI
  15 #LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
  16
  17 #.c.o:
  18 #       cc -c -DLINUX -DPGI $*.c
  19
  20 #.f.o:
  21 #       ${FC} ${FFLAGS} $*.f
  22
  23 #.F.o:
  24 #       ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
  25 #UNRES_FILE= ../../UNRESS/unres_f90/source/unres_MD-M
  26 UNRES_FILE= ../unres_MD-M
  27 WHAM_FILE= ../wham
  28
  29 data = clust_data.o
  30 #w_compar_data.o w_comm_local.o
  31
  32 objects_unres = xdrf/*.o names.o io_units.o control_data.o calc_data.o \
  33         compare_data.o control_data.o minim_data.o MD_data.o\
  34         energy_data.o geometry_data.o MPI_data.o MCM_data.o comm_local.o math.o geometry.o \
  35         io_base.o energy.o regularize.o control.o io_config.o # compare.o
  36
  37 #compare_data.o control_data.o minim_data.o CSA_data.o
  38 objects_wham = wham_data.o conform_compar.o io_wham.o work_partition.o
  39
  40 objects = track.o hc.o io_clust.o probabl.o cluster.o
  41
  42 all: no_option
  43         @echo "Specify force field: GAB or E0LL2Y"
  44
  45 no_option:
  46
  47
  48 #objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
  49         matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
  50         geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o  \
  51         track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
  52         int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
  53         setup_var.o read_ref_str.o gnmr1.o permut.o
  54
  55 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
  56         -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCLUSTER
  57 GAB: EXE_FILE = ../../bin/cluster_GAB_F90_EL.exe
  58 GAB: ${data} ${objects_unres} ${objects_wham} ${objects}
  59         $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
  60 #       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-GAB.exe
  61
  62 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
  63         -DSPLITELE -DLANG0 -DCLUSTER
  64 E0LL2Y: EXE_FILE = ../../bin/cluster_E0LL2Y_F90_EL.exe
  65 E0LL2Y: ${data} ${objects_unres} ${objects_wham} ${objects}
  66         $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
  67 #       $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe
  68
  69 xdrf/*.o:
  70         cd xdrf && make
  71
  72 clean:
  73         rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean
  74 #       rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
  75
  76
  77 clust_data.o: clust_data.f90
  78         ${FC} ${FFLAGS} ${CPPFLAGS} clust_data.f90
  79
  80 wham_data.o: ${WHAM_FILE}/wham_data.f90
  81         ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/wham_data.f90
  82
  83 w_compar_data.o: w_compar_data.f90
  84         ${FC} ${FFLAGS} ${CPPFLAGS} w_compar_data.f90
  85
  86 w_comm_local.o: w_comm_local.f90
  87         ${FC} ${FFLAGS} ${CPPFLAGS} w_comm_local.f90
  88
  89
  90 names.o: ${UNRES_FILE}/names.f90
  91         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/names.f90
  92
  93 io_units.o: ${UNRES_FILE}/io_units.f90
  94         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_units.f90
  95
  96 calc_data.o: ${UNRES_FILE}/calc_data.f90
  97         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/calc_data.f90
  98
  99 compare_data.o: ${UNRES_FILE}/compare_data.f90
 100         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare_data.f90
 101
 102 control_data.o: ${UNRES_FILE}/control_data.f90
 103         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control_data.f90
 104
 105 CSA_data.o: ${UNRES_FILE}/CSA_data.f90
 106         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA_data.f90
 107
 108 energy_data.o: ${UNRES_FILE}/energy_data.f90
 109         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/energy_data.f90
 110
 111 geometry_data.o: ${UNRES_FILE}/geometry_data.f90
 112         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry_data.f90
 113
 114 map_data.o: ${UNRES_FILE}/map_data.f90
 115         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map_data.f90
 116
 117 MCM_data.o: ${UNRES_FILE}/MCM_data.f90
 118         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_data.f90
 119
 120 MD_data.o: ${UNRES_FILE}/MD_data.f90
 121         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MD_data.f90
 122
 123 minim_data.o: ${UNRES_FILE}/minim_data.f90
 124         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/minim_data.f90
 125
 126 MPI_data.o: ${UNRES_FILE}/MPI_data.f90
 127         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI_data.f90
 128
 129 REMD_data.o: ${UNRES_FILE}/REMD_data.f90
 130         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/REMD_data.f90
 131
 132 comm_local.o: ${UNRES_FILE}/comm_local.f90
 133         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/comm_local.f90
 134
 135 prng_32.o: ${UNRES_FILE}/prng_32.f90
 136         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/prng_32.f90
 137
 138 math.o: ${UNRES_FILE}/math.f90
 139         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90
 140
 141 random.o: ${UNRES_FILE}/random.f90
 142         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/random.f90
 143
 144 geometry.o: ${UNRES_FILE}/geometry.f90
 145         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90
 146
 147 md_calc.o: ${UNRES_FILE}/md_calc.f90
 148         ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/md_calc.f90
 149
 150 io_base.o: ${UNRES_FILE}/io_base.f90
 151         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90
 152
 153 energy.o: ${UNRES_FILE}/energy.f90
 154         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90
 155
 156 check_bond.o: ${UNRES_FILE}/check_bond.f90
 157         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/check_bond.f90
 158
 159 control.o: ${UNRES_FILE}/control.f90
 160         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.f90
 161
 162 io_config.o: ${UNRES_FILE}/io_config.f90
 163         ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90
 164
 165 MPI.o: ${UNRES_FILE}/MPI.f90
 166         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI.f90
 167
 168 minim.o: ${UNRES_FILE}/minim.f90
 169         ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/minim.f90
 170
 171 regularize.o: ${UNRES_FILE}/regularize.f90
 172         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90
 173
 174 compare.o: ${UNRES_FILE}/compare.f90
 175         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare.f90
 176
 177 map.o: ${UNRES_FILE}/map.f90
 178         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map.f90
 179
 180 muca_md.o: ${UNRES_FILE}/muca_md.f90
 181         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/muca_md.f90
 182
 183 REMD.o: ${UNRES_FILE}/REMD.f90
 184         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/REMD.f90
 185
 186 MCM_MD.o: ${UNRES_FILE}/MCM_MD.f90
 187         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_MD.f90
 188
 189 io.o: ${UNRES_FILE}/io.f90
 190         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io.f90
 191
 192 MD.o: ${UNRES_FILE}/MD.f90
 193         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/MD.f90
 194
 195 MREMD.o: ${UNRES_FILE}/MREMD.f90
 196         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MREMD.f90
 197
 198 CSA.o: ${UNRES_FILE}/CSA.f90
 199         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA.f90
 200
 201 unres.o: ${UNRES_FILE}/unres.f90
 202         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/unres.f90
 203
 204
 205 proc_proc.o: proc_proc.c
 206         ${CC} ${CPPFLAGS} -O -c proc_proc.c
 207
 208 io_database.o: io_database.f90
 209         ${FC} ${FFLAGS} ${CPPFLAGS} io_database.f90
 210
 211 io_wham.o: ${WHAM_FILE}/io_wham.f90
 212         ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/io_wham.f90
 213
 214 conform_compar.o: ${WHAM_FILE}/conform_compar.f90
 215         ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/conform_compar.f90
 216
 217 enecalc.o: enecalc.f90
 218         ${FC} ${FFLAGS} ${CPPFLAGS} enecalc.f90
 219
 220 wham_calc.o: wham_calc.f90
 221         ${FC} ${FFLAGS} ${CPPFLAGS} wham_calc.f90
 222
 223 work_partition.o: ${WHAM_FILE}/work_partition.f90
 224         ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/work_partition.f90
 225
 226 wham.o: wham.f90
 227         ${FC} ${FFLAGS} ${CPPFLAGS} wham.f90
 228
 229 probabl.o: probabl.f90
 230         ${FC} ${FFLAGS} ${CPPFLAGS} probabl.f90
 231
 232 track.o: track.f90
 233         ${FC} ${FFLAGS} ${CPPFLAGS} track.f90
 234
 235 hc.o: hc.f90
 236         ${FC} ${FFLAGS} ${CPPFLAGS} hc.f90
 237
 238 io_clust.o: io_clust.f90
 239         ${FC} ${FFLAGS} ${CPPFLAGS} io_clust.f90
 240
 241 cluster.o: cluster.f90
 242         ${FC} ${FFLAGS} ${CPPFLAGS} cluster.f90