source/maxlik/src_MD_T_maxlik-NEWCORR-PMF-PDB/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         pmfread.o \
  76         pdbstatread.o \
  77         funder_eello.o \
  78         maxlikpdb.o
  79
  80 objects_compar = \
  81         fitsq.o \
  82         lmysort.o \
  83         q_measure1.o \
  84         q_measure_self.o \
  85         readpdb.o \
  86         readrtns_compar.o \
  87         rmscalc.o
  88
  89 all: no_option
  90         @echo "Specify force field: GAB, E0LL2Y or NEWCORR"
  91
  92 no_option:
  93
  94 GAB: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST \
  95         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
  96 GAB: BIN = ${BINDIR}/zscorezMD_maxlik-ifort-GAB.exe
  97 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  98         gcc -o compinfo compinfo.c
  99         ./compinfo | true
 100         ${FC} ${FFLAGS} cinfo.f
 101         ${FC} ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} -o ${BIN}
 102
 103 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 104 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 105         gcc -o compinfo compinfo.c
 106         ./compinfo
 107         ${FC} -c ${FFLAGS} cinfo.f
 108         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 109          -o ${BINDIR}/zscorezMD_maxlik-ifort-E0LL2Y.exe
 110
 111 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DISNAN -DPROCOR -DSPLITELE -DPGI -DWEIDIST -DNEWCORR #-DCHECKGRAD #-DOUT_PTAB -DOUT_LIK #-DZCHECK
 112 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 113         gcc -o compinfo compinfo.c
 114         ./compinfo
 115         ${FC} -c ${FFLAGS} cinfo.f
 116         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS} \
 117          -o ${BINDIR}/zscorezMD_maxlik-ifort-NEWCORR-splitfourier-PDBSTAT.exe
 118
 119 sumsld.o: sumsld.f
 120         ${FC} ${FFLAGS1} sumsld.f
 121
 122 sumsl_a.o: sumsl_a.f
 123         ${FC} ${FFLAGS1} sumsl_a.f
 124
 125 cored.o: cored.f
 126         ${FC} ${FFLAGS1} cored.f
 127
 128 rmdd.o: rmdd.f
 129         ${FC} ${FFLAGS1} rmdd.f
 130
 131 energy_p_new_sc.o: energy_p_new_sc.F
 132         ${FC} ${FFLAGS2} ${CPPFLAGS} energy_p_new_sc.F
 133
 134 funder_eello.o: funder_eello.F
 135         ${FC} ${FFLAGS2} ${CPPFLAGS} funder_eello.F
 136
 137 q_measure1.o: q_measure1.F
 138         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure1.F
 139
 140 q_measure_self.o: q_measure_self.F
 141         ${FC} ${FFLAGS2} ${CPPFLAGS} q_measure_self.F
 142
 143 averages.o: averages.F
 144         ${FC} ${FFLAGS2} ${CPPFLAGS} averages.F
 145
 146 fitsq.o: fitsq.f
 147         ${FC} ${FFLAGS2} fitsq.f
 148
 149 isnan.o: isnan.f
 150         ${FC} -Kieee -c isnan.f
 151
 152 clean:
 153         /bin/rm *.o