source/wham/src/Makefile_MPICH_pgi

   1 INSTALL_DIR = /users/software/mpich-1.2.7p1_pgi_9.0_64bit_ssh
   2 CC = cc
   3 FC = pgf90
   4 #OPT = -mcmodel=medium -Mlarge_arrays -fast -pc 64 -tp amd64 -C -g
   5 OPT = -mcmodel=medium -Mlarge_arrays -tp amd64
   6 #FFLAGS =  ${OPT} -g -c -I. -I./include_unres -I$(INSTALL_DIR)/include
   7 FFLAGS =  ${OPT} -c -C -g -I. -I./include_unres -I$(INSTALL_DIR)/include
   8 #FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
   9 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
  10
  11 .f.o:
  12         ${FC} ${FFLAGS} $*.f
  13
  14 .F.o:
  15         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  16
  17 objects = \
  18         wham_multparm.o \
  19         bxread.o \
  20         xread.o \
  21         cxread.o \
  22         enecalc1.o \
  23         energy_p_new.o \
  24         gnmr1.o \
  25         initialize_p.o \
  26         molread_zs.o \
  27         openunits.o \
  28         readrtns.o \
  29         arcos.o \
  30         cartder.o \
  31         cartprint.o \
  32         chainbuild.o \
  33         geomout.o \
  34         icant.o \
  35         intcor.o \
  36         int_from_cart.o \
  37         make_ensemble1.o \
  38         matmult.o \
  39         misc.o \
  40         mygetenv.o \
  41         parmread.o \
  42         pinorm.o \
  43         printmat.o \
  44         proc_proc.o \
  45         rescode.o \
  46         setup_var.o \
  47         slices.o \
  48         store_parm.o \
  49         timing.o \
  50         wham_calc1.o \
  51         ssMD.o
  52
  53 objects_compar = \
  54         readrtns_compar.o \
  55         readpdb.o fitsq.o contact.o \
  56         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  57         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  58         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  59
  60 all: no_option
  61         @echo "Specify force field: GAB, 4P or E0LL2Y"
  62
  63 no_option:
  64
  65 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  66         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  67 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  68         cc -o compinfo compinfo.c
  69         ./compinfo
  70         ${FC} -c ${FFLAGS} cinfo.f
  71         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  72         ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_GAB.exe
  73
  74 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  75         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DWHAM
  76 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  77         cc -o compinfo compinfo.c
  78         ./compinfo
  79         ${FC} -c ${FFLAGS} cinfo.f
  80         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  81         ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_4P.exe
  82
  83 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 -DWHAM
  84 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
  85         cc -o compinfo compinfo.c
  86         ./compinfo
  87         ${FC} -c ${FFLAGS} cinfo.f
  88         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  89         ${LIBS} -static-intel -o ${BIN}/wham_pgf90_MPICH_E0LL2Y.exe
  90
  91 xdrf/libxdrf.a:
  92         cd xdrf && make
  93
  94
  95 clean:
  96         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
  97