multichain wham ignores conf. energies>10E6 and speed up of starts
[unres.git] / source / wham / src / Makefile_matrix_PGI-oldparm
1 INSTALL_DIR = /usr/local/mpich-1.2.7p1_pgi64-6.2-3_ssh
2 BIN = ../bin
3 CC = cc
4 FC = pgf90
5 #FC = ifc
6 OPT = -mcmodel=medium -Mlarge_arrays -fast -pc 64 -tp amd64
7 #OPT = -mcmodel=medium -Mlarge_arrays -tp amd64
8 #FFLAGS =  ${OPT} -g -c -I. -I./include_unres -I$(INSTALL_DIR)/include
9 #FFLAGS =  ${OPT} -c -C -g -I. -I./include_unres -I$(INSTALL_DIR)/include
10 FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
11 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
12 #LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich -lpmpich -Vaxlib
13 #CPPFLAGS = -DMPI -DLINUX -DUNRES -DMOMENT -DCHECKGRAD -DPGI
14 #CPPFLAGS = -DMPI -DLINUX -DUNRES -DCHECKGRAD -DPGI -DMYGETENV
15 CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DCRYST_BOND -DCRYST_SC -DCRYST_THETA 
16 #CPPFLAGS = -DMPI -DLINUX -DUNRES -DPGI
17 #CPPFLAGS = -DMPI -DLINUX -DUNRES
18
19 .f.o:
20         ${FC} ${FFLAGS} $*.f
21
22 .F.o:
23         ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
24
25 all: make_dbase
26
27 objects = \
28         wham_multparm.o \
29         bxread.o \
30         xread.o \
31         cxread.o \
32         enecalc1.o \
33         energy_p_new.o \
34         initialize_p.o \
35         molread_zs.o \
36         openunits.o \
37         readrtns.o \
38         arcos.o \
39         cartder.o \
40         cartprint.o \
41         chainbuild.o \
42         geomout.o \
43         icant.o \
44         intcor.o \
45         int_from_cart.o \
46         make_ensemble1.o \
47         matmult.o \
48         misc.o \
49         mygetenv.o \
50         parmread.o \
51         pinorm.o \
52         printmat.o \
53         proc_proc.o \
54         rescode.o \
55         setup_var.o \
56         slices.o \
57         store_parm.o \
58         timing.o \
59         wham_calc1.o
60
61 objects_compar = \
62         readrtns_compar.o \
63         readpdb.o fitsq.o contact.o \
64         elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
65         angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
66         rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
67
68 make_dbase: ${objects} ${objects_compar}
69         cc -o compinfo compinfo.c
70         ./compinfo
71         ${FC} -c ${FFLAGS} cinfo.f
72         $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
73         ${LIBS} -o ${BIN}/wham_multparm-OPTERON-SCTF-sccor-oldparm
74
75 clean:
76         /bin/rm *.o