source/wham/src-HCD-5D/Makefile_MPICH_ifort

   1 INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
   2 OPT = -mcmodel=medium -shared-intel -O3 -dynamic
   3 BIN = ../../../bin/wham
   4 FC= ${INSTALL_DIR}/bin/mpif90
   5 OPT = -mcmodel=medium -O3 -ip -w
   6 #OPT = -O3 -intel-static -mcmodel=medium
   7 #OPT = -O3 -ip -w
   8 #OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
   9 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
  10 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
  11
  12 .f.o:
  13         ${FC} ${FFLAGS} $*.f
  14
  15 .F.o:
  16         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
  17
  18 objects = \
  19         wham_multparm.o \
  20         bxread.o \
  21         xread.o \
  22         cxread.o \
  23         enecalc1.o \
  24         energy_p_new.o \
  25         gnmr1.o \
  26         initialize_p.o \
  27         molread_zs.o \
  28         openunits.o \
  29         readrtns.o \
  30         read_constr_homology.o \
  31         arcos.o \
  32         cartprint.o \
  33         chainbuild.o \
  34         geomout.o \
  35         icant.o \
  36         intcor.o \
  37         int_from_cart.o \
  38         refsys.o \
  39         make_ensemble1.o \
  40         matmult.o \
  41         misc.o \
  42         mygetenv.o \
  43         parmread.o \
  44         permut.o \
  45         seq2chains.o \
  46         chain_symmetry.o \
  47         iperm.o \
  48         pinorm.o \
  49         printmat.o \
  50         proc_proc.o \
  51         rescode.o \
  52         setup_var.o \
  53         slices.o \
  54         store_parm.o \
  55         timing.o \
  56         wham_calc1.o \
  57         PMFprocess.o \
  58         ssMD.o \
  59         boxshift.o \
  60         oligomer.o
  61
  62 objects_compar = \
  63         readrtns_compar.o \
  64         readpdb.o fitsq.o contact.o \
  65         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
  66         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
  67         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
  68
  69 all: no_option
  70         @echo "Specify force field: GAB, 4P, E0LL2Y or NEWCORR"
  71
  72 no_option:
  73
  74 GAB: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  75         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM
  76 GAB: ${objects} ${objects_compar} xdrf/libxdrf.a
  77         gcc -o compinfo compinfo.c
  78         ./compinfo
  79         ${FC} -c ${FFLAGS} cinfo.f
  80         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  81         ${LIBS} -o ${BIN}/wham_ifort_MPICH-GAB-HCD.exe
  82
  83 GAB_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
  84         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM -DDFA
  85 GAB_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
  86         gcc -o compinfo compinfo.c
  87         ./compinfo
  88         ${FC} -c ${FFLAGS} cinfo.f
  89         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
  90         ${LIBS} -o ${BIN}/wham_ifort_MPICH-GAB-HCD-DFA.exe
  91
  92 4P: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
  93         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM
  94 4P: ${objects} ${objects_compar} xdrf/libxdrf.a
  95         gcc -o compinfo compinfo.c
  96         ./compinfo
  97         ${FC} -c ${FFLAGS} cinfo.f
  98         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
  99         ${LIBS} -o ${BIN}/wham_ifort_MPICH-4P-HCD.exe
 100
 101 4P_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPGI -DISNAN -DAMD64 \
 102         -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DFOURBODY -DWHAM -DDFA
 103 4P_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 104         gcc -o compinfo compinfo.c
 105         ./compinfo
 106         ${FC} -c ${FFLAGS} cinfo.f
 107         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 108         ${LIBS} -o ${BIN}/wham_ifort_MPICH-4P-HCD-DFA.exe
 109
 110 E0LL2Y: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DFOURBODY -DAMD64 -DWHAM
 111 E0LL2Y: ${objects} ${objects_compar} xdrf/libxdrf.a
 112         gcc -o compinfo compinfo.c
 113         ./compinfo
 114         ${FC} -c ${FFLAGS} cinfo.f
 115         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 116         ${LIBS} -o ${BIN}/wham_ifort_MPICH-E0LL2Y-HCD.exe
 117
 118 E0LL2Y_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DFOURBODY -DAMD64 -DWHAM -DDFA
 119 E0LL2Y_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 120         gcc -o compinfo compinfo.c
 121         ./compinfo
 122         ${FC} -c ${FFLAGS} cinfo.f
 123         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 124         ${LIBS} -o ${BIN}/wham_ifort_MPICH-E0LL2Y-HCD-DFA.exe
 125
 126 NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
 127 NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 128         gcc -o compinfo compinfo.c
 129         ./compinfo
 130         ${FC} -c ${FFLAGS} cinfo.f
 131         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 132         ${LIBS} -o ${BIN}/wham_ifort_MPICH-SC-HCD.exe
 133
 134 NEWCORR5D: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG
 135 NEWCORR5D: ${objects} ${objects_compar} xdrf/libxdrf.a
 136         gcc -o compinfo compinfo.c
 137         ./compinfo
 138         ${FC} -c ${FFLAGS} cinfo.f
 139         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
 140         ${LIBS} -o ${BIN}/wham_ifort_MPICH-SC-HCD5.exe
 141
 142 NEWCORR_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
 143 NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 144         gcc -o compinfo compinfo.c
 145         ./compinfo
 146         ${FC} -c ${FFLAGS} cinfo.f
 147         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 148         ${LIBS} -o ${BIN}/wham_ifort_MPICH-SC-HCD-DFA-D.exe
 149
 150 NEWCORR5D_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG -DDFA
 151 NEWCORR5D_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 152         gcc -o compinfo compinfo.c
 153         ./compinfo
 154         ${FC} -c ${FFLAGS} cinfo.f
 155         $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
 156         ${LIBS} -o ${BIN}/wham_ifort_MPICH-SC-HCD5-DFA.exe
 157
 158 xdrf/libxdrf.a:
 159         cd xdrf && make
 160
 161
 162 clean:
 163         /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
 164