source/maxlik/src_MD_T_maxlik-NEWCORR/Makefile-MPICH-okeanos

   1 INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
   2 BINDIR = ~/bin
   3 CC = gcc
   4 FC = /opt/cray/craype/2.5.3/bin/ftn
   5 #FC = /opt/intel/bin/ifort
   6 OPT = -mcmodel=medium -shared-intel -dynamic -g -CA -CB
   7 #OPT = -O2 -mcmodel=medium -shared-intel -dynamic
   8 OPT1 = -O0 -mcmodel=medium -shared-intel -dynamic
   9 #OPT2 = -O3 -mcmodel=medium -shared-intel -dynamic
  10 OPT2 = ${OPT}
  11 #OPT1 =
  12 #OPT = -O2 -ip -w
  13 #OPT1 = -O2 -ip -w
  14 #OPT2 = -w -O3 -ipo -ipo_obj  -opt_report
  15 CFLAGS = -c
  16 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  17 FFLAGS1 = ${OPT1} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  18 FFLAGS2 = ${OPT2} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  19 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
  20 .f.o:
  21         ${FC} ${FFLAGS} $*.f
  22
  23 .F.o:
  24         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  25
  26 all: maxlik
  27
  28 objects = \
  29         zscorez.o \
  30         amebsa.o \
  31         amotsa.o \
  32         arcos.o \
  33         averages_sc.o \
  34         cartder.o \
  35         cartprint.o \
  36         chainbuild.o \
  37         convert.o \
  38         cored.o \
  39         cutoff_violation.o \
  40         energy_p_new_sc.o \
  41         func1_sc.o \
  42         geomout.o \
  43         gnmr1.o \
  44         icant.o \
  45         initialize_p.o \
  46         intcor.o \
  47         int_from_cart1.o \
  48         make_list_sc.o \
  49         matmult.o \
  50         minimize.o \
  51         misc.o \
  52         mygetenv.o \
  53         molread_zs.o \
  54         openunits.o \
  55         parmread.o \
  56         pinorm.o \
  57         printmat.o \
  58         proc.o \
  59         ran1.o \
  60         randgens.o \
  61         random.o \
  62         readrtns_MP.o \
  63         refsys.o \
  64         rescode.o \
  65         restart.o \
  66         rmdd.o \
  67         scan.o \
  68         setup_var.o \
  69         sumsl_a.o \
  70         sumsld.o \
  71         thermal.o \
  72         timing.o \
  73         maxlikopt.o \
  74         w2x_eps.o
  75
  76 objects_compar = \
  77         fitsq.o \
  78         lmysort.o \
  79         q_measure1.o \
  80         q_measure_self.o \
  81         readpdb.o \
  82         readrtns_compar.o \
  83         rmscalc.o
  84
  85 all: no_option
  86         @echo "Specify force field: GAB, E0LL2Y or NEWCORR"
  87
  88 no_option:
  89
  90 GAB: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST \
  91         -DNEWCORR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
  92 GAB: BIN = ${BINDIR}/zscorezMD_maxlik-ifort-GAB.exe
  93 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  94         gcc -o compinfo compinfo.c
  95         ./compinfo | true
  96         ${FC} ${FFLAGS} cinfo.f
  97         ${FC} ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} -o ${BIN}
  98
  99 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 100 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 101         gcc -o compinfo compinfo.c
 102         ./compinfo
 103         ${FC} -c ${FFLAGS} cinfo.f
 104         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 105          -o ${BINDIR}/zscorezMD_maxlik-ifort-E0LL2Y.exe
 106
 107 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 108 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 109         gcc -o compinfo compinfo.c
 110         ./compinfo
 111         ${FC} -c ${FFLAGS} cinfo.f
 112         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 113          -o ${BINDIR}/zscorezMD_maxlik-ifort-NEWCORR-splitfourier.exe
 114
 115 sumsld.o: sumsld.f
 116         ${FC} ${FFLAGS1} sumsld.f
 117
 118 sumsl_a.o: sumsl_a.f
 119         ${FC} ${FFLAGS1} sumsl_a.f
 120
 121 cored.o: cored.f
 122         ${FC} ${FFLAGS1} cored.f
 123
 124 rmdd.o: rmdd.f
 125         ${FC} ${FFLAGS1} rmdd.f
 126
 127 energy_p_new_sc.o: energy_p_new_sc.F
 128         ${FC} ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
 129
 130 q_measure1.o: q_measure1.F
 131         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure1.F
 132
 133 q_measure_self.o: q_measure_self.F
 134         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
 135
 136 averages.o: averages.F
 137         ${FC} ${FFLAGS2} ${CPPFLAGS} averages.F
 138
 139 fitsq.o: fitsq.f
 140         ${FC} ${FFLAGS2} fitsq.f
 141
 142 isnan.o: isnan.f
 143         ${FC} -Kieee -c isnan.f
 144
 145 clean:
 146         /bin/rm *.o