source/wham/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
   4 #FC= ifort
   5 OPT = -mcmodel=medium -O3 -ip -w
   6
   7 FC= ${INSTALL_DIR}/bin/mpif90
   8 CC = gcc
   9
  10 #DEB = -g -CA -CB -auto -zero -traceback -u -check pointer -check uninit
  11 DEB = -g -CA -CB -check pointer #-check uninit
  12 #OPT =  -O3 #-ip
  13 FFLAGS = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
  14 FFLAGSE = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
  15 FFLAGS2 = -fpp -c -g -CA -CB #-O0
  16 #FFLAGS = -c -g -C -I. -I./include_unres -I$(INSTALL_DIR)/include
  17 #LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf/libxdrf.a
  18
  19 #CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DCRYST_BOND -DCRYST_SC -DCRYST_THETA -DWHAM_RUN -DMPI -DISNAN
  20
  21 #EXE_FILE = ../bin/wham_F90_EL.exe
  22 #UNRES_FILE= ../../UNRESS/unres_f90/source/unres_MD-M
  23 UNRES_FILE= ../unres_MD-M
  24
  25 data = wham_data.o w_compar_data.o w_comm_local.o
  26
  27 objects_unres = xdrf/*.o names.o io_units.o calc_data.o compare_data.o control_data.o minim_data.o CSA_data.o\
  28         energy_data.o geometry_data.o MD_data.o MPI_data.o MCM_data.o comm_local.o math.o geometry.o \
  29         io_base.o energy.o control.o regularize.o compare.o
  30
  31 objects = conform_compar.o io_database.o io_config.o io_wham.o\
  32         enecalc.o wham_calc.o work_partition.o\
  33         wham.o
  34 #io_config is from unres package
  35
  36 all: no_option
  37         @echo "Specify force field: GAB, 4P or E0LL2Y"
  38
  39 no_option:
  40
  41 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  42         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM_RUN  #-DWHAM
  43 GAB: EXE_FILE = ../../bin/wham_GAB_F90_EL.exe
  44 GAB: ${data} ${objects_unres} ${objects}
  45         cc -o compinfo compinfo.c
  46         ./compinfo | true
  47         ${FC} ${FFLAGS} cinfo.f90
  48         $(FC) ${OPT} ${data} ${objects_unres} ${objects} cinfo.o -o ${EXE_FILE}
  49 #        $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  50 #        ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH-GAB.exe
  51
  52 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  53         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM_RUN # -DWHAM
  54 4P: EXE_FILE = ../../bin/wham_4P_F90_EL.exe
  55 4P: ${data} ${objects_unres} ${objects}
  56         cc -o compinfo compinfo.c
  57         ./compinfo | true
  58         ${FC} ${FFLAGS} cinfo.f90
  59         $(FC) ${OPT} ${data} ${objects_unres} ${objects} cinfo.o -o ${EXE_FILE}
  60 #        $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  61 #        ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-4P.exe
  62
  63 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM_RUN #-DWHAM
  64 E0LL2Y: EXE_FILE = ../../bin/wham_E0LL2Y_F90_EL.exe
  65 E0LL2Y: ${data} ${objects_unres} ${objects}
  66         cc -o compinfo compinfo.c
  67         ./compinfo | true
  68         ${FC} ${FFLAGS} cinfo.f90
  69         $(FC) ${OPT} ${data} ${objects_unres} ${objects} cinfo.o -o ${EXE_FILE}
  70 #        $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  71 #        ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-E0LL2Y.exe
  72
  73
  74 #wham: ${data} ${objects_unres} ${objects}
  75 #       cc -o compinfo compinfo.c
  76 #       ./compinfo | true
  77 #       ${FC} ${FFLAGS} cinfo.f90
  78 #       $(FC) ${OPT} ${data} ${objects_unres} ${objects} cinfo.o -o ${EXE_FILE}
  79
  80 xdrf/*.o:
  81         cd xdrf && make
  82
  83 clean:
  84         rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean
  85 #       rm -f *.o && rm -f *.mod && rm -f ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
  86 #       /bin/rm *.o
  87
  88 wham_data.o: wham_data.f90
  89         ${FC} ${FFLAGS} ${CPPFLAGS} wham_data.f90
  90
  91 w_compar_data.o: w_compar_data.f90
  92         ${FC} ${FFLAGS} ${CPPFLAGS} w_compar_data.f90
  93
  94 w_comm_local.o: w_comm_local.f90
  95         ${FC} ${FFLAGS} ${CPPFLAGS} w_comm_local.f90
  96
  97
  98 names.o: ${UNRES_FILE}/names.f90
  99         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/names.f90
 100
 101 io_units.o: ${UNRES_FILE}/io_units.f90
 102         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_units.f90
 103
 104 calc_data.o: ${UNRES_FILE}/calc_data.f90
 105         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/calc_data.f90
 106
 107 compare_data.o: ${UNRES_FILE}/compare_data.f90
 108         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare_data.f90
 109
 110 control_data.o: ${UNRES_FILE}/control_data.f90
 111         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control_data.f90
 112
 113 CSA_data.o: ${UNRES_FILE}/CSA_data.f90
 114         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA_data.f90
 115
 116 energy_data.o: ${UNRES_FILE}/energy_data.f90
 117         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/energy_data.f90
 118
 119 geometry_data.o: ${UNRES_FILE}/geometry_data.f90
 120         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry_data.f90
 121
 122 map_data.o: ${UNRES_FILE}/map_data.f90
 123         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map_data.f90
 124
 125 MCM_data.o: ${UNRES_FILE}/MCM_data.f90
 126         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_data.f90
 127
 128 MD_data.o: ${UNRES_FILE}/MD_data.f90
 129         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MD_data.f90
 130
 131 minim_data.o: ${UNRES_FILE}/minim_data.f90
 132         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/minim_data.f90
 133
 134 MPI_data.o: ${UNRES_FILE}/MPI_data.f90
 135         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI_data.f90
 136
 137 REMD_data.o: ${UNRES_FILE}/REMD_data.f90
 138         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/REMD_data.f90
 139
 140 comm_local.o: ${UNRES_FILE}/comm_local.f90
 141         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/comm_local.f90
 142
 143 prng_32.o: ${UNRES_FILE}/prng_32.f90
 144         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/prng_32.f90
 145
 146 math.o: ${UNRES_FILE}/math.f90
 147         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90
 148
 149 random.o: ${UNRES_FILE}/random.f90
 150         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/random.f90
 151
 152 geometry.o: ${UNRES_FILE}/geometry.f90
 153         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90
 154
 155 md_calc.o: ${UNRES_FILE}/md_calc.f90
 156         ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/md_calc.f90
 157
 158 io_base.o: ${UNRES_FILE}/io_base.f90
 159         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90
 160
 161 energy.o: ${UNRES_FILE}/energy.f90
 162         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90
 163
 164 check_bond.o: ${UNRES_FILE}/check_bond.f90
 165         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/check_bond.f90
 166
 167 control.o: ${UNRES_FILE}/control.f90
 168         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.f90
 169
 170 io_config.o: ${UNRES_FILE}/io_config.f90
 171         ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90
 172
 173 MPI.o: ${UNRES_FILE}/MPI.f90
 174         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI.f90
 175
 176 minim.o: ${UNRES_FILE}/minim.f90
 177         ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/minim.f90
 178
 179 regularize.o: ${UNRES_FILE}/regularize.f90
 180         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90
 181
 182 compare.o: ${UNRES_FILE}/compare.f90
 183         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare.f90
 184
 185 map.o: ${UNRES_FILE}/map.f90
 186         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map.f90
 187
 188 muca_md.o: ${UNRES_FILE}/muca_md.f90
 189         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/muca_md.f90
 190
 191 REMD.o: ${UNRES_FILE}/REMD.f90
 192         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/REMD.f90
 193
 194 MCM_MD.o: ${UNRES_FILE}/MCM_MD.f90
 195         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_MD.f90
 196
 197 io.o: ${UNRES_FILE}/io.f90
 198         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io.f90
 199
 200 MD.o: ${UNRES_FILE}/MD.f90
 201         ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/MD.f90
 202
 203 MREMD.o: ${UNRES_FILE}/MREMD.f90
 204         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MREMD.f90
 205
 206 CSA.o: ${UNRES_FILE}/CSA.f90
 207         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA.f90
 208
 209 unres.o: ${UNRES_FILE}/unres.f90
 210         ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/unres.f90
 211
 212
 213 proc_proc.o: proc_proc.c
 214         ${CC} ${CPPFLAGS} -O -c proc_proc.c
 215
 216 io_database.o: io_database.f90
 217         ${FC} ${FFLAGS} ${CPPFLAGS} io_database.f90
 218
 219 io_wham.o: io_wham.f90
 220         ${FC} ${FFLAGS} ${CPPFLAGS} io_wham.f90
 221
 222 conform_compar.o: conform_compar.f90
 223         ${FC} ${FFLAGS} ${CPPFLAGS} conform_compar.f90
 224
 225 enecalc.o: enecalc.f90
 226         ${FC} ${FFLAGS} ${CPPFLAGS} enecalc.f90
 227
 228 wham_calc.o: wham_calc.f90
 229         ${FC} ${FFLAGS} ${CPPFLAGS} wham_calc.f90
 230
 231 work_partition.o: work_partition.f90
 232         ${FC} ${FFLAGS} ${CPPFLAGS} work_partition.f90
 233
 234 wham.o: wham.f90
 235         ${FC} ${FFLAGS} ${CPPFLAGS} wham.f90
 236