2 FC1=/bgsys/drivers/ppcfloor/comm/bin/mpixlf77
4 OPT = -O3 -qarch=450 -qtune=450 -qfixed
5 #OPT = -O3 -qarch=450 -qtune=450 -qdebug=function_trace -qfixed
6 #OPT = -O -qarch=450 -qtune=450 -qfixed
7 #-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
8 #-Mprefetch=distance:8,nta
10 #OPT = -O0 -C -g -qarch=450 -qtune=450 -qfixed
11 OPT1 = -O0 -g -qarch=450 -qtune=450 -qfixed
12 OPT2 = -O2 -qarch=450 -qtune=450 -qfixed
13 #OPT2 = -O2 -qarch=450 -qtune=450 -qdebug=function_trace -qfixed
15 OPTE = -O4 -qarch=450 -qtune=450 -qfixed
16 #OPTE = -O4 -qarch=450 -qtune=450 -qdebug=function_trace -qfixed
19 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
20 FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
21 FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
22 FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
24 BIN = ../bin/unres_MD_Tc_procor-newparm-gnivpar-O4-test.exe
25 #LIBS = xdrf/libxdrf.a /home/liwo/UNRES/LIB/libmemmon.a
28 CPPFLAGS = -WF,-DAIX -WF,-DISNAN -WF,-DUNRES -WF,-DMP -WF,-DMPI -WF,-DPGI \
29 -WF,-DSPLITELE -WF,-DPROCOR -WF,-DAMD64 -WF,-DLANG0
39 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
42 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
43 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
44 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
45 cartder.o checkder_p.o econstr_local.o energy_p_new.o \
46 energy_p_new-sep.o gradient_p.o minimize_p.o sumsld.o \
47 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
48 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
49 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
50 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
51 indexx.o MP.o compare_s1.o prng.o \
52 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
53 sc_move.o local_move.o \
54 intcartderiv.o lagrangian_lesyng.o\
55 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
56 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
60 ${CC} -o compinfo compinfo.c
62 ${FC} ${FFLAGS} cinfo.f
63 ${FC} ${OPT} --print-map ${object} cinfo.o ${LIBS} -o ${BIN}
67 /bin/rm *.o; /bin/rm *.pp.*
70 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
73 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
76 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
79 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
82 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
85 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
87 together.o: together.F
88 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
91 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
93 chainbuild.o: chainbuild.F
94 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
97 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
99 parmread.o : parmread.F
100 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
103 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
105 cartder.o : cartder.F
106 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
108 readpdb.o : readpdb.f
109 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.f
112 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
115 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
118 ${FC} ${FFLAGS1} ${CPPFLAGS} rmdd.f
121 ${FC} ${FFLAGS1} ${CPPFLAGS} eigen.f
124 ${FC} ${FFLAGS1} ${CPPFLAGS} blas.f
127 ${FC} ${FFLAGS1} ${CPPFLAGS} add.f
129 energy_p_new.o : energy_p_new.F
130 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
132 energy_p_new-sep.o : energy_p_new-sep.F
133 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep.F
135 lagrangian_lesyng.o : lagrangian_lesyng.F
136 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
139 ${CC} ${CFLAGS} compfinfo.c
141 proc_proc.o: proc_proc.c
142 ${CC} ${CFLAGS} proc_proc.c
145 ${FC} -qfixed -O0 prng_32.F
148 ${FC1} ${FFLAGS} prng.f
150 readrtns_CSA.o: readrtns_CSA.F
151 ${FC1} ${FFLAGS} ${CPPFLAGS} readrtns_CSA.F
153 gen_rand_conf.o: gen_rand_conf.F
154 ${FC1} ${FFLAGS} ${CPPFLAGS} gen_rand_conf.F