X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2FMakefile-matrix3;fp=source%2Funres%2Fsrc_MD-M-newcorr%2FMakefile-matrix3;h=3a50a21db9a03bf300913f13e4ba814f15e0dcee;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M-newcorr/Makefile-matrix3 b/source/unres/src_MD-M-newcorr/Makefile-matrix3 new file mode 100644 index 0000000..3a50a21 --- /dev/null +++ b/source/unres/src_MD-M-newcorr/Makefile-matrix3 @@ -0,0 +1,141 @@ +CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \ + -DPGI -DSPLITELE -DISNAN -DAMD64 \ + -DPROCOR \ +# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +## -DPROCOR +## -DMOMENT +#-DCO_BIAS +#-DCRYST_TOR +#-DDEBUG + +CFLAGS = -DSGI -c + +#INSTALL_DIR = /usr/local/mpich-1.2.0 +INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh +# +#FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc +FC= ifort + +OPT = -O3 -ip -w + +FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include +FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include +FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include +FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include + +#FFLAGS = -c -C -g -I$(INSTALL_DIR)/include +#FFLAGS1 = -c -g -I$(INSTALL_DIR)/include +#FFLAGS2 = -c -C -g -I$(INSTALL_DIR)/include +#FFLAGSE = -c -C -g -I$(INSTALL_DIR)/include + +BIN = ../bin/unres_Tc_procor_em64-D-finegrain.exe +#LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a +#LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a +LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf_em64/libxdrf.a -g -d2 -CA -CB + +ARCH = LINUX +PP = /lib/cpp -P + + +all: unres + +.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 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 + +unres: ${object} proc_proc.o + cc -o compinfo compinfo.c + ./compinfo | true + ${FC} ${FFLAGS} cinfo.f + ${FC} ${OPT} ${object} proc_proc.o cinfo.o ${LIBS} -o ${BIN} + + +clean: + /bin/rm *.o + +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} ${FFLAGS} ${CPPFLAGS} csa.f + +shift.o: shift.F + ${FC} ${FFLAGS} ${CPPFLAGS} shift.F + +ran.o: ran.f + ${FC} ${FFLAGS} ${CPPFLAGS} ran.f + +together.o: together.F + ${FC} ${FFLAGS} ${CPPFLAGS} together.F + +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.o : energy_p_new.F + ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F + +lagrangian_lesyng.o : lagrangian_lesyng.F + ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F + +eigen.o : eigen.f + ${FC} ${FFLAGS} eigen.f + +blas.o : blas.f + ${FC} ${FFLAGS} blas.f + +add.o : add.f + ${FC} ${FFLAGS} add.f + +proc_proc.o: proc_proc.c + ${CC} ${CFLAGS} proc_proc.c