2 #include TAU_MAKEFILE ${TAU_ROOT_DIR}/xt3/lib/Makefile.tau-mpi-pdt-pgi
3 TAU_MAKEFILE=/usr/local/packages/TAU-2.17/tau-2.17/xt3/lib/Makefile.tau-mpi-pdt-pgi
5 OPT = -fast -pc 64 -tp p6
6 #-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
7 #-Mprefetch=distance:8,nta
9 OPT1 = -fast -pc 64 -tp p6
10 OPT2 = -fast -pc 64 -tp p6
11 OPTE = -fast -pc 64 -tp p6
13 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
14 FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
15 FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
16 FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
18 BIN = ../bin/unres_MD_Tc_procor-newparm-gnivpar-tau.exe
19 #LIBS = xdrf/libxdrf.a /home/liwo/UNRES/LIB/libmemmon.a
22 CPPFLAGS = -DAIX -DISNAN -DUNRES -DMP -DMPI -DPGI \
23 -DSPLITELE -DPROCOR -DAMD64 -DLANG0
33 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
36 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
37 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
38 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
39 cartder.o checkder_p.o econstr_local.o energy_p_new.o \
40 energy_p_new-sep.o gradient_p.o minimize_p.o sumsld.o \
41 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
42 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
43 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
44 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
45 indexx.o MP.o compare_s1.o prng.o \
46 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
47 sc_move.o local_move.o \
48 intcartderiv.o lagrangian_lesyng.o\
49 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
50 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
54 ${CC} -o compinfo compinfo.c
56 ${FC} ${FFLAGS} cinfo.f
57 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
61 /bin/rm *.o; /bin/rm *.pp.*
64 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
67 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
70 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
73 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
76 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
79 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
81 together.o: together.F
82 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
85 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
87 chainbuild.o: chainbuild.F
88 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
91 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
93 parmread.o : parmread.F
94 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
97 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
100 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
102 readpdb.o : readpdb.f
103 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.f
106 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
109 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
112 ${FC} ${FFLAGS1} ${CPPFLAGS} rmdd.f
115 ${FC} ${FFLAGS1} ${CPPFLAGS} eigen.f
118 ${FC} ${FFLAGS1} ${CPPFLAGS} blas.f
121 ${FC} ${FFLAGS1} ${CPPFLAGS} add.f
123 energy_p_new.o : energy_p_new.F
124 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
126 energy_p_new-sep.o : energy_p_new-sep.F
127 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep.F
129 lagrangian_lesyng.o : lagrangian_lesyng.F
130 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
133 ${CC} ${CFLAGS} compfinfo.c
135 proc_proc.o: proc_proc.c
136 ${CC} ${CFLAGS} proc_proc.c
139 ${FC} -qfixed -O0 prng_32.F
142 ${FC} ${FFLAGS} prng.f
144 readrtns_CSA.o: readrtns_CSA.F
145 ${FC} ${FFLAGS} ${CPPFLAGS} readrtns_CSA.F
147 gen_rand_conf.o: gen_rand_conf.F
148 ${FC} ${FFLAGS} ${CPPFLAGS} gen_rand_conf.F