1 ###################################################################
2 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
9 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
10 FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
11 FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include
12 FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL_DIR)/include
14 # FFLAGSE = ${FFLAGS1}
17 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
24 @echo "give optin GAB or E0LL2Y"
28 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
31 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
32 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
33 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
34 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
35 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
36 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
37 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
38 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
39 MP.o compare_s1.o prng.o \
40 banach.o rmsd.o elecont.o dihed_cons.o \
41 sc_move.o local_move.o \
42 intcartderiv.o lagrangian_lesyng.o\
43 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
44 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
45 q_measure.o gnmr1.o test.o dfa.o ssMD.o
49 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
50 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
51 GAB: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_GAB.exe
52 GAB: ${object} xdrf/libxdrf.a
53 cc -o compinfo compinfo.c
55 ${FC} ${FFLAGS} cinfo.f
56 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
58 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
60 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
61 E0LL2Y: ${object} xdrf/libxdrf.a
62 cc -o compinfo compinfo.c
64 ${FC} ${FFLAGS} cinfo.f
65 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
72 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
75 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
77 chainbuild.o: chainbuild.F
78 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
81 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
83 parmread.o : parmread.F
84 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
87 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
90 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
93 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
96 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
99 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
102 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
104 energy_p_new_barrier.o : energy_p_new_barrier.F
105 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
107 gradient_p.o : gradient_p.F
108 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
110 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
111 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
113 lagrangian_lesyng.o : lagrangian_lesyng.F
114 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
116 MD_A-MTS.o : MD_A-MTS.F
117 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
120 ${FC} ${FFLAGS1} blas.f
123 ${FC} ${FFLAGS1} add.f
126 ${FC} ${FFLAGS2} eigen.f
128 proc_proc.o: proc_proc.c
129 ${CC} ${CFLAGS} proc_proc.c