1 #INSTALL_DIR = /usr/local/mpich-1.2.0
2 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
4 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
12 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
13 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
14 FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
15 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
17 #BIN = ../../../bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe
18 #LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
19 #LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
20 LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf_em64/libxdrf.a
30 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
33 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
34 matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
35 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
36 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
37 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
38 cored.o rmdd.o geomout.o readpdb.o permut.o regularize.o thread.o fitsq.o mcm.o \
39 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
40 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
41 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
42 indexx.o MP.o compare_s1.o prng_32.o \
43 test.o banach.o distfit.o rmsd.o elecont.o dihed_cons.o \
44 sc_move.o local_move.o \
45 intcartderiv.o lagrangian_lesyng.o\
46 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
47 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
48 q_measure.o gnmr1.o ssMD.o
50 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DAMD64 \
51 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC\
53 GAB: BIN = ../../../bin/unres/MD-M/unres_ifort_MPICH_GAB.exe
54 GAB: ${object} ../../lib/xdrf_em64/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 -DAMD64 \
62 E0LL2Y: BIN = ../../../bin/unres/MD-M/unres_ifort_MPICH_E0LL2Y.exe
63 E0LL2Y: ${object} ../../lib/xdrf_em64/libxdrf.a
64 cc -o compinfo compinfo.c
66 ${FC} ${FFLAGS} cinfo.f
67 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
69 ../../lib/xdrf_em64/libxdrf.a:
70 cd ../../lib/xdrf_em64 && make
77 ${FC} ${FFLAGS} ${CPPFLAGS} newconf.f
80 ${FC} ${FFLAGS} ${CPPFLAGS} bank.F
83 ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f
86 ${FC} ${FFLAGS} ${CPPFLAGS} csa.f
89 ${FC} ${FFLAGS} ${CPPFLAGS} shift.F
92 ${FC} ${FFLAGS} ${CPPFLAGS} ran.f
94 together.o: together.F
95 ${FC} ${FFLAGS} ${CPPFLAGS} together.F
98 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
100 chainbuild.o: chainbuild.F
101 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
104 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
106 parmread.o : parmread.F
107 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
110 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
112 cartder.o : cartder.F
113 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
115 readpdb.o : readpdb.F
116 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
119 ${FC} ${FFLAGS2} ${CPPFLAGS} permut.F
122 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
125 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
128 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
130 energy_p_new.o : energy_p_new.F
131 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
133 lagrangian_lesyng.o : lagrangian_lesyng.F
134 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
136 proc_proc.o: proc_proc.c
137 ${CC} ${CFLAGS} proc_proc.c
140 ${FC} ${FFLAGS2} add.f
143 ${FC} ${FFLAGS2} blas.f
146 ${FC} ${FFLAGS2} eigen.f