wham maxsym=10
[unres.git] / 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 = ./
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