source/wham/src/Makefile_jubl

   1 CPPFLAGS =  -WF,-DOLD_GINV \
   2             -WF,-DUNRES -WF,-DMPI \
   3             -WF,-DSPLITELE -WF,-DISNAN \
   4             -WF,-DAIX -WF,-DLANG0 -WF,-DPROCOR -WF,-DJUBL
   5 #-WF,-DNOXDR
   6 #-WF,-DPROCOR
   7 ## -DMOMENT
   8 #-DCO_BIAS
   9 #-DCRYST_TOR
  10 #-DDEBUG
  11
  12 BGLSYS = /bgl/BlueLight/ppcfloor/bglsys
  13
  14 CC = /usr/bin/blrts_xlc
  15 CPPC = /usr/bin/blrts_xlc
  16 FC = /usr/bin/blrts_xlf90
  17 #-pg -g
  18
  19 # try -qarch=440 first, then use -qarch=440d for 2nd FPU later on
  20 #  (SIMDization requires at least -O3)
  21 # use -qlist -qsource with 440d and look for Parallel ASM instructions.
  22 #
  23 OPT= -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440 -qfixed -w -qnosave
  24 CFLAGS= -O3 -I$(BGLSYS)/include -L$(BGLSYS)/lib -qarch=440d -qtune=440
  25 FFLAGS= -c -O3 ${OPT} -I./include_unres
  26 #
  27 LIBS_MPI = -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
  28 LIBSF_MPI = -lmpich.rts -lfmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts
  29
  30 FFLAGS1 = -c ${OPT} -O2
  31 FFLAGS2 = -c ${OPT} -O
  32 FFLAGSE = -c ${OPT} -O4
  33
  34
  35 BIN = ${HOME}/UNRES/bin/wham_multparm-T-procor.rts
  36 LIBS = ${LIBSF_MPI} ../src_Tc/xdrf/libxdrf.a
  37 #LIBS = ${LIBSF_MPI}
  38
  39 ARCH = LINUX
  40 PP = /lib/cpp -P
  41
  42 all: unresCSA
  43
  44 .SUFFIXES: .F
  45 .F.o:
  46         ${FC} ${FFLAGS}  ${CPPFLAGS} $*.F
  47
  48
  49 objects = \
  50         wham_multparm.o \
  51         cxread.o \
  52         enecalc.o \
  53         energy_p_new.o \
  54         initialize_p.o \
  55         molread_zs.o \
  56         openunits.o \
  57         readrtns.o \
  58         arcos.o \
  59         cartder.o \
  60         cartprint.o \
  61         chainbuild.o \
  62         geomout.o \
  63         icant.o \
  64         intcor.o \
  65         int_from_cart.o \
  66         make_ensemble.o \
  67         matmult.o \
  68         misc.o \
  69         mygetenv.o \
  70         parmread.o \
  71         pinorm.o \
  72         printmat.o \
  73         rescode.o \
  74         setup_var.o \
  75         store_parm.o \
  76         timing.o \
  77         wham_calc.o
  78
  79 objects_compar = \
  80         readrtns_compar.o \
  81         readpdb.o fitsq.o contact.o \
  82         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  83         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  84         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  85
  86
  87 unresCSA: ${objects} ${objects_compar}
  88         cc -o compinfo compinfo.c
  89         ./compinfo | true
  90         ${FC} ${FFLAGS} cinfo.f
  91         ${FC} ${OPT} ${objects} ${objects_compar} cinfo.o ${LIBS}  -o ${BIN}
  92
  93
  94 clean:
  95         /bin/rm *.o