Adam's changes
[unres.git] / source / wham / src-M-Pawel / 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