update new files
[unres.git] / source / maxlik / src_MD_T_maxlik-NEWCORR-PMF-PDB / MAKEFILES / Makefile_MPI
1 CC = cc
2 FC= mpxlf
3
4 OPT4 = -O3 -qhot -qtune=pwr3 -qarch=pwr3 -qstrict -qcache=auto \
5        -qipa -Q+scalar2,scalar,transpose2,matvec2,prodmat3
6 OPT3 = -O3 -qhot
7 OPT2 = -O2
8 OPT1 =
9 OPT0 = -C -g
10
11 FFLAGS = -c ${OPT3} -I. -I/rmount/paci/cornell/ux451761/UNRES/src
12 FFLAGS1 = -c -C -g ${OPT1} -I. -I/rmount/paci/cornell/ux451761/UNRES/src
13 FFLAGS2 = -c ${OPT2} -I. -I/rmount/paci/cornell/ux451761/UNRES/src
14 FFLAGS4 = -c ${OPT4} -I. -I/rmount/paci/cornell/ux451761/UNRES/src
15 #FFLAGS = ${FFLAGS1}
16 #FFLAGS2 = ${FFLAGS1}
17 #FFLAGS4 = ${FFLAGS1}
18
19 CPPFLAGS = -DAIX -DMOMENT -DUNRES -DMPI
20
21 PP = /lib/cpp -P
22
23 .SUFFIXES: .c
24 .c.o:
25         ${CC} ${CPPFLAGS} ${FFLAGS1} $*.c
26
27 .SUFFIXES: .f
28 .f.o:
29         ${FC} ${FFLAGS} $*.f
30
31 all:zscorezi
32
33 energy_p_new.o: energy_p_new.F
34         ${PP} ${CPPFLAGS} energy_p_new.F > energy_p_new.f
35         ${FC} ${FFLAGS4} energy_p_new.f
36         mv energy_p_new.f f_FILES/
37
38 sumsld.o: sumsld.f
39         ${FC} ${FFLAGS2} sumsld.f
40
41 sumsl_a.o: sumsl_a.f
42         ${FC} ${FFLAGS2} sumsl_a.f
43
44 .SUFFIXES: .F
45 .F.o:
46         ${PP} ${CPPFLAGS} $*.F > $*.f
47         ${FC} ${FFLAGS} $*.f
48         mv $*.f f_FILES/.
49
50 objects = \
51         zscorez.o \
52         arcos.o \
53         bad_secondary.o \
54         cartder.o \
55         cartprint.o \
56         chainbuild.o \
57         convert.o \
58         cored.o \
59         energy_p_new.o \
60         func1.o \
61         geomout.o \
62         gnmr.o \
63         gnmr1.o \
64         grad_helbeta.o \
65         icant.o \
66         initialize_p.o \
67         intcor.o \
68         klasy.o \
69         make_distrib.o \
70         mapa.o \
71         matmult.o \
72         minimize.o \
73         misc.o \
74         mygetenv.o \
75         molread_zs.o \
76         obfun.o \
77         openunits.o \
78         optim.o \
79         parmread.o \
80         pinorm.o \
81         printmat.o \
82         proc.o \
83         proc_proc.o \
84         randgens.o \
85         random.o \
86         readrtns.o \
87         rescode.o \
88         restart.o \
89         rmdd.o \
90         scan.o \
91         setup_var.o \
92         sumsl_a.o \
93         sumsld.o \
94         timing.o \
95         vmc.o \
96         w2x.o
97
98 zscorezi: ${objects}
99         ${CC} -o compinfo compinfo.c
100         ./compinfo
101         ${FC} -c ${FFLAGS} cinfo.f
102         $(FC) ${OPT} ${objects} cinfo.o -o zscorezb_MPI
103         mv zscorezb_MPI ../bin
104
105 clean:
106         /bin/rm *.o