source/wham/src-HCD/Makefile_MPICH_ifort-prometheus

   1 BIN = ~/unres/bin
   2
   3 FC = mpif90 -fc=ifort
   4
   5 OPT =  -O3 -ip -mcmodel=medium -shared-intel
   6 #OPT =  -O3
   7 OPT =  -g -CA -CB -mcmodel=medium -shared-intel
   8
   9 FFLAGS = -c ${OPT} -Iinclude_unres
  10 FFLAGS1 = -c  -g -CA -CB -mcmodel=medium -shared-intel
  11 #FFLAGS = ${FFLAGS1}
  12 FFLAGS2 = -c  -g -O0 -mcmodel=medium -shared-intel
  13 FFLAGSE = -c  -O3 -ipo -mcmodel=medium -shared-intel
  14 #FFLAGSE = ${FFLAGS}
  15
  16
  17 #LIBS = -L$(INSTALL_DIR)/lib -lmpi xdrf/libxdrf.a
  18 LIBS = -lmpi xdrf/libxdrf.a
  19 #/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
  20
  21 .f.o:
  22         ${FC} ${FFLAGS} $*.f
  23
  24 .F.o:
  25         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  26
  27 objects = \
  28         wham_multparm.o \
  29         bxread.o \
  30         xread.o \
  31         cxread.o \
  32         enecalc1.o \
  33         energy_p_new.o \
  34         gnmr1.o \
  35         initialize_p.o \
  36         molread_zs.o \
  37         openunits.o \
  38         readrtns.o \
  39         arcos.o \
  40         cartder.o \
  41         cartprint.o \
  42         chainbuild.o \
  43         geomout.o \
  44         icant.o \
  45         intcor.o \
  46         int_from_cart.o \
  47         make_ensemble1.o \
  48         matmult.o \
  49         misc.o \
  50         mygetenv.o \
  51         parmread.o \
  52         permut.o \
  53         pinorm.o \
  54         printmat.o \
  55         proc_proc.o \
  56         rescode.o \
  57         setup_var.o \
  58         slices.o \
  59         store_parm.o \
  60         timing.o \
  61         wham_calc1.o \
  62         PMFprocess.o \
  63         ssMD.o \
  64         oligomer.o
  65
  66 objects_compar = \
  67         readrtns_compar.o \
  68         readpdb.o fitsq.o contact.o \
  69         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  70         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  71         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  72
  73 all: no_option
  74         @echo "Specify force field: GAB, 4P or E0LL2Y"
  75
  76 no_option:
  77
  78 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  79         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  80 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  81         gcc -o compinfo compinfo.c
  82         ./compinfo
  83         ${FC} -c ${FFLAGS} cinfo.f
  84         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  85         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_GAB-SAXS.exe
  86
  87 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  88         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  89 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  90         gcc -o compinfo compinfo.c
  91         ./compinfo
  92         ${FC} -c ${FFLAGS} cinfo.f
  93         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  94         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_4P-SAXS.exe
  95
  96 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
  97 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
  98         gcc -o compinfo compinfo.c
  99         ./compinfo
 100         ${FC} -c ${FFLAGS} cinfo.f
 101         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 102         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_E0LL2Y-SAXS.exe
 103
 104 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
 105 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 106         gcc -o compinfo compinfo.c
 107         ./compinfo
 108         ${FC} -c ${FFLAGS} cinfo.f
 109         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 110         ${LIBS} -o ${BIN}/wham_ifort_KCC_MPICH-okeanos_NEWCORR-SAXS-NMRAMB.exe
 111
 112 xdrf/libxdrf.a:
 113         cd xdrf && make
 114
 115
 116 clean:
 117         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 118