1 ###################################################################
2 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
5 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
6 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
7 FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
8 FFLAGS3 = -c -w -O3 -mp
9 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
13 CFLAGS = -DLINUX -DPGI -c
17 # -Mvect <---slows down
18 # -Minline=name:matmat2 <---false convergence
20 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
29 @echo "Specify force field: GAB or E0LL2Y"
33 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
35 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
36 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
37 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
38 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
39 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
40 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
41 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
42 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
43 MP.o compare_s1.o prng.o \
44 banach.o rmsd.o elecont.o dihed_cons.o \
45 sc_move.o local_move.o \
46 intcartderiv.o lagrangian_lesyng.o\
47 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
48 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
49 q_measure.o gnmr1.o test.o dfa.o ssMD.o
51 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
52 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
53 GAB: BIN = ../bin/unres_ifort_MPICH-restr-DFA_GAB.exe
54 GAB: ${object} xdrf/libxdrf.a
55 cc -o compinfo compinfo.c
57 ${FC} ${FFLAGS} cinfo.f
58 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
60 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
62 E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH-restr-DFA_E0LL2Y.exe
63 E0LL2Y: ${object} xdrf/libxdrf.a
64 cc -o compinfo compinfo.c
66 ${FC} ${FFLAGS} cinfo.f
67 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
73 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
76 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
78 chainbuild.o: chainbuild.F
79 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
82 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
84 parmread.o : parmread.F
85 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
88 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
91 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
94 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
97 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
100 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
103 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
105 energy_p_new_barrier.o : energy_p_new_barrier.F
106 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
108 gradient_p.o : gradient_p.F
109 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
111 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
112 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
114 lagrangian_lesyng.o : lagrangian_lesyng.F
115 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
117 MD_A-MTS.o : MD_A-MTS.F
118 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
121 ${FC} ${FFLAGS1} blas.f
124 ${FC} ${FFLAGS1} add.f
127 ${FC} ${FFLAGS2} eigen.f
130 ${FC} -mp ${FFLAGS3} ${CPPFLAGS} dfa.F
132 proc_proc.o: proc_proc.c
133 ${CC} ${CFLAGS} proc_proc.c