source/wham/src-M/Makefile_MPICH_ifort

   1 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
   2 INSTALL_DIR = /users2/local/mpich2-1.4.1p1_intel
   3 BIN = ../../../bin/wham
   4 FC= ifort
   5 OPT = -mcmodel=medium -O3 -ip -w
   6 #OPT = -mcmodel=medium -g -CB -ip -w
   7 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
   8 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a
   9
  10 .f.o:
  11         ${FC} ${FFLAGS} $*.f
  12
  13 .F.o:
  14         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  15
  16 objects = \
  17         wham_multparm.o \
  18         bxread.o \
  19         xread.o \
  20         cxread.o \
  21         enecalc1.o \
  22         energy_p_new.o \
  23         gnmr1.o \
  24         initialize_p.o \
  25         molread_zs.o \
  26         openunits.o \
  27         readrtns.o \
  28         arcos.o \
  29         cartder.o \
  30         cartprint.o \
  31         chainbuild.o \
  32         geomout.o \
  33         icant.o \
  34         intcor.o \
  35         int_from_cart.o \
  36         make_ensemble1.o \
  37         matmult.o \
  38         misc.o \
  39         mygetenv.o \
  40         parmread.o \
  41         pinorm.o \
  42         printmat.o \
  43         proc_proc.o \
  44         rescode.o \
  45         setup_var.o \
  46         slices.o \
  47         store_parm.o \
  48         timing.o \
  49         read_dist_constr.o \
  50         permut.o \
  51         wham_calc1.o \
  52         ssMD.o
  53
  54 objects_compar = \
  55         readrtns_compar.o \
  56         readpdb.o fitsq.o contact.o \
  57         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  58         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  59         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  60
  61 all: no_option
  62         @echo "Specify force field: GAB, 4P or E0LL2Y"
  63
  64 no_option:
  65
  66 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  67         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
  68 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  69         cc -o compinfo compinfo.c
  70         ./compinfo
  71         ${FC} -c ${FFLAGS} cinfo.f
  72         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  73         ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH-GAB.exe
  74
  75 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  76         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
  77 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  78         cc -o compinfo compinfo.c
  79         ./compinfo
  80         ${FC} -c ${FFLAGS} cinfo.f
  81         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  82         ${LIBS} -static-intel -o ${BIN}/wham-mult_ifort_MPICH_D-4P.exe
  83
  84 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64
  85 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
  86         cc -o compinfo compinfo.c
  87         ./compinfo
  88         ${FC} -c ${FFLAGS} cinfo.f
  89         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  90         ${LIBS} -shared-intel -o ${BIN}/wham-mult_ifort_MPICH_D-E0LL2Y.exe
  91
  92 xdrf/libxdrf.a:
  93         cd xdrf && make
  94
  95
  96 clean:
  97         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
  98