X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMakefile_single_gfortran;fp=source%2Funres%2Fsrc_MD-M%2FMakefile_single_gfortran;h=845a5af7e4979500731de564535c0e3f620f874c;hp=0000000000000000000000000000000000000000;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/source/unres/src_MD-M/Makefile_single_gfortran b/source/unres/src_MD-M/Makefile_single_gfortran new file mode 100644 index 0000000..845a5af --- /dev/null +++ b/source/unres/src_MD-M/Makefile_single_gfortran @@ -0,0 +1,142 @@ +FC= gfortran +FFLAGS = -c ${OPT} -I. +FFLAGS1 = -c ${OPT1} -I. + +CC = cc + +CFLAGS = -DLINUX -DPGI -c + +OPT = -O -fbounds-check -g +OPT1 = -g + +#OPT = -fbounds-check -g +#OPT1 = -g + +# -Mvect <---slows down +# -Minline=name:matmat2 <---false convergence + +LIBS = -Lxdrf -lxdrf +#-DMOMENT +#-DCO_BIAS +#-DCRYST_TOR +#-DDEBUG + +ARCH = LINUX +PP = /lib/cpp -P + +all: + @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_CSA.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 permut.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 \ + together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \ + indexx.o MP.o compare_s1.o prng_32.o \ + test.o banach.o distfit.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 ssMD.o + +no_option: + +GAB: CPPFLAGS = -DPROCOR -DLINUX -DAMD64 -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +GAB: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_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 -DAMD64 -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +4P: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_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 -DAMD64 -DUNRES -DISNAN \ + -DSPLITELE -DLANG0 +E0LL2Y: BIN = ../../../bin/unres/MD/unres-mult-symetr_gfortran_single_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 + +newconf.o: newconf.F + ${FC} ${FFLAGS} ${CPPFLAGS} newconf.F + +bank.o: bank.F + ${FC} ${FFLAGS} ${CPPFLAGS} bank.F + +diff12.o: diff12.f + ${FC} ${FFLAGS} ${CPPFLAGS} diff12.f + +csa.o: csa.f + ${FC} ${FFLAGS1} ${CPPFLAGS} csa.f + +shift.o: shift.F + ${FC} ${FFLAGS1} ${CPPFLAGS} shift.F + +ran.o: ran.f + ${FC} ${FFLAGS1} ${CPPFLAGS} ran.f + +together.o: together.F + ${FC} ${FFLAGS} ${CPPFLAGS} together.F + +fitsq.o: fitsq.f + ${FC} ${FFLAGS1} ${CPPFLAGS} fitsq.f + +rmsd.o: rmsd.F + ${FC} ${FFLAGS1} ${CPPFLAGS} rmsd.F + +contact.o: contact.f + ${FC} ${FFLAGS1} ${CPPFLAGS} contact.f + +minim_jlee.o: minim_jlee.F + ${FC} ${FFLAGS1} ${CPPFLAGS} minim_jlee.F + +minimize_p.o: minimize_p.F + ${FC} ${FFLAGS1} ${CPPFLAGS} minimize_p.F + +gen_rand_conf.o: gen_rand_conf.F + ${FC} ${FFLAGS} ${CPPFLAGS} gen_rand_conf.F + + +test.o: test.F + ${FC} ${FFLAGS1} ${CPPFLAGS} test.F + +elecont.o: elecont.f + ${FC} ${FFLAGS} ${CPPFLAGS} elecont.f + +eigen.o: eigen.f + ${FC} ${FFLAGS1} eigen.f + +blas.o: blas.f + ${FC} ${FFLAGS1} blas.f + +add.o: add.f + ${FC} ${FFLAGS1} add.f + +proc_proc.o: proc_proc.c + ${CC} ${CFLAGS} proc_proc.c