################################################################### #INSTALL_DIR = /users/software/mpich2-1.0.7 INSTALL_DIR = /users/local/mpich2-1.4.1p1_gnu FC= gfortran -g OPT = -O FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include FFLAGS1 = -c -I$(INSTALL_DIR)/include FFLAGS2 = -c -O0 -I$(INSTALL_DIR)/include FFLAGS3 = -c -O -I$(INSTALL_DIR)/include FFLAGSE = -c -O3 -I$(INSTALL_DIR)/include LIBS = -L$(INSTALL_DIR)/lib -lmpich -lmpl xdrf/libxdrf.a ARCH = LINUX PP = /lib/cpp -P all: no_option @echo "Specify force field: GAB, 4P or E0LL2Y" .SUFFIXES: .F .F.o: ${FC} ${FFLAGS} ${CPPFLAGS} $*.F object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \ matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \ pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \ cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \ energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \ cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \ mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \ eigen.o blas.o add.o entmcm.o minim_mcmf.o \ MP.o compare_s1.o prng_32.o \ banach.o rmsd.o elecont.o dihed_cons.o \ sc_move.o local_move.o \ intcartderiv.o lagrangian_lesyng.o\ stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \ surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \ q_measure.o gnmr1.o test.o ssMD.o no_option: GAB: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC GAB: BIN = ../../../bin/unres/MD/unres_gfort_MPICH_GAB.exe GAB: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} 4P: CPPFLAGS = -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 4P: BIN = ../../../bin/unres/MD/unres_gfort_MPICH_4P.exe 4P: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DG77 -DAMD64 -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 E0LL2Y: BIN = ../../../bin/unres/MD/unres_gfort_MPICH_E0LL2Y.exe E0LL2Y: ${object} xdrf/libxdrf.a cc -o compinfo compinfo.c ./compinfo | true ${FC} ${FFLAGS} cinfo.f ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} xdrf/libxdrf.a: cd xdrf && make clean: /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean test.o: test.F ${FC} ${FFLAGS} ${CPPFLAGS} test.F chainbuild.o: chainbuild.F ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F matmult.o: matmult.f ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f parmread.o : parmread.F ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F intcor.o : intcor.f ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f cartder.o : cartder.F ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F readpdb.o : readpdb.F ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F sumsld.o : sumsld.f ${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f cored.o : cored.f ${FC} ${FFLAGS1} ${CPPFLAGS} cored.f rmdd.o : rmdd.f ${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f energy_p_new_barrier.o : energy_p_new_barrier.F ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F gradient_p.o : gradient_p.F ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F lagrangian_lesyng.o : lagrangian_lesyng.F ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F MD_A-MTS.o : MD_A-MTS.F ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F blas.o : blas.f ${FC} ${FFLAGS1} blas.f add.o : add.f ${FC} ${FFLAGS1} add.f eigen.o : eigen.f ${FC} ${FFLAGS2} eigen.f proc_proc.o: proc_proc.c ${CC} ${CFLAGS} proc_proc.c