1 CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
2 -DPGI -DSPLITELE -DISNAN -DAMD64 \
4 # -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
10 #INSTALL_DIR = /usr/local/mpich-1.2.0
11 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh/
12 INSTALL_DIR = /opt/mpi/mvapich
14 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
16 FCL = ${INSTALL_DIR}/bin/mpif77
21 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
22 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
23 FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
24 FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
26 BIN = ../bin/unres_Tc_procor_new_em64_dfa_csa.exe
27 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread -g -d2 -CA -CB
36 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
39 object = unres_csa.o arcos.o cartprint.o chainbuild.o initialize_p.o \
40 matmult.o readrtns_csa.o parmread.o \
41 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
42 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
43 gradient_p.o minimize_p.o sumsld.o \
44 cored.o rmdd.o geomout_min.o readpdb.o \
46 MP.o printmat.o convert.o int_to_cart.o \
48 together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
49 indexx.o prng_32.o contact.o gen_rand_conf.o \
50 sc_move.o test.o local_move.o rmsd.o fitsq.o elecont.o djacob.o \
54 cc -o compinfo compinfo.c
56 ${FC} ${FFLAGS} cinfo.f
57 ${FCL} -static-libcxa ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
62 chainbuild.o: chainbuild.F
63 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
66 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
68 parmread.o : parmread.F
69 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
72 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
75 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
78 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
81 ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
84 ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
87 ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
89 energy_p_new_barrier.o : energy_p_new_barrier.F
90 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
92 gradient_p.o : gradient_p.F
93 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
96 ${FC} -mp ${FFLAGS} ${CPPFLAGS} dfa.F