1 ###################################################################
2 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
10 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
11 FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
12 FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include
13 FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL_DIR)/include
17 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
24 @echo "Specify force field: GAB, 4P 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_CSA.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 permut.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 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
40 indexx.o MP.o compare_s1.o prng_32.o \
41 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
42 sc_move.o local_move.o \
43 intcartderiv.o lagrangian_lesyng.o\
44 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
45 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
46 q_measure.o gnmr1.o ssMD.o
50 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
51 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
52 GAB: BIN = /users/adam/bin/unres/MD/unres-mult-symetr_KCC_ifort_MPICH_GAB.exe
53 GAB: ${object} xdrf/libxdrf.a
54 cc -o compinfo compinfo.c
56 ${FC} ${FFLAGS} cinfo.f
57 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
59 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
60 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
61 4P: BIN = /users/adam/bin/unres-mult-symetr_KCC_ifort_MPICH_4P.exe
62 4P: ${object} xdrf/libxdrf.a
63 cc -o compinfo compinfo.c
65 ${FC} ${FFLAGS} cinfo.f
66 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
68 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
70 E0LL2Y: BIN = /users/adam/bin/unres-mult-symetr_KCC_ifort_MPICH_E0LL2Y.exe
71 E0LL2Y: ${object} xdrf/libxdrf.a
72 cc -o compinfo compinfo.c
74 ${FC} ${FFLAGS} cinfo.f
75 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
77 NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
78 -DSPLITELE -DLANG0 -DNEWCORR
79 NEWCORR: BIN = /users/adam/bin/unres-mult-symetr_KCC_ifort_MPICH_E0LL2Y-NEWCORR.exe
80 NEWCORR: ${object} xdrf/libxdrf.a
81 cc -o compinfo compinfo.c
83 ${FC} ${FFLAGS} cinfo.f
84 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
91 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
94 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
96 chainbuild.o: chainbuild.F
97 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
100 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
102 parmread.o : parmread.F
103 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
106 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
108 cartder.o : cartder.F
109 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
111 readpdb.o : readpdb.F
112 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
115 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
118 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
121 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
123 energy_p_new_barrier.o : energy_p_new_barrier.F
124 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
126 gradient_p.o : gradient_p.F
127 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
129 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
130 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
132 lagrangian_lesyng.o : lagrangian_lesyng.F
133 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
135 MD_A-MTS.o : MD_A-MTS.F
136 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
139 ${FC} ${FFLAGS1} blas.f
142 ${FC} ${FFLAGS1} add.f
145 ${FC} ${FFLAGS2} eigen.f
147 proc_proc.o: proc_proc.c
148 ${CC} ${CFLAGS} proc_proc.c