1 #source /opt/pgi/linux86-64/13.7/mpi.csh
2 ###################################################################
11 FFLAGSE = -c -fast -Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3
21 @echo "give optin GAB or E0LL2Y"
25 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
28 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
29 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
30 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
31 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
32 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
33 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
34 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
35 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
36 MP.o compare_s1.o prng.o \
37 banach.o rmsd.o elecont.o dihed_cons.o \
38 sc_move.o local_move.o \
39 intcartderiv.o lagrangian_lesyng.o\
40 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
41 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
42 q_measure.o gnmr1.o test.o ssMD.o isnan.o
46 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
47 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
48 GAB: BIN = ../../../bin/unres/MD/unres_pgf90_mpi_GAB.exe
49 GAB: ${object} xdrf/libxdrf.a
50 cc -o compinfo compinfo.c
52 ${FC} ${FFLAGS} cinfo.f
53 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
55 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
57 E0LL2Y: BIN = ../../../bin/unres/MD/unres_pgf90_mpi_E0LL2Y.exe
58 E0LL2Y: ${object} xdrf/libxdrf.a
59 cc -o compinfo compinfo.c
61 ${FC} ${FFLAGS} cinfo.f
62 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
69 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
72 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
74 chainbuild.o: chainbuild.F
75 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
78 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
80 parmread.o : parmread.F
81 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
84 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
87 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
90 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
93 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
96 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
99 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
101 energy_p_new_barrier.o : energy_p_new_barrier.F
102 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
104 gradient_p.o : gradient_p.F
105 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
107 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
108 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
110 lagrangian_lesyng.o : lagrangian_lesyng.F
111 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
113 MD_A-MTS.o : MD_A-MTS.F
114 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
117 ${FC} ${FFLAGS1} blas.f
120 ${FC} ${FFLAGS1} add.f
123 ${FC} ${FFLAGS2} eigen.f
125 proc_proc.o: proc_proc.c
126 ${CC} ${CFLAGS} proc_proc.c
129 ${FC} -Kieee -c isnan.f