X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_CASP3;fp=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_CASP3;h=c9ff0be45224a108adfe1c32aa7c5f33f96c4ca5;hb=58fdd680a27499c439ebe6f38889fafe1bb1b34b;hp=0000000000000000000000000000000000000000;hpb=35a52495e95a834b7c9323077ae9885e8d192d2a;p=unres.git diff --git a/source/unres/src_CSA_DiL/Makefile_CASP3 b/source/unres/src_CSA_DiL/Makefile_CASP3 new file mode 100644 index 0000000..c9ff0be --- /dev/null +++ b/source/unres/src_CSA_DiL/Makefile_CASP3 @@ -0,0 +1,100 @@ +CPPFLAGS = -DLINUX -DPGI -DISNAN -DMP -DMPI -DUNRES \ + -DSPLITELE -DAMD64 -DLANG0 -DMOMENT \ + -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCRYST_TOR +# -DPROCOR +# -DTSCSC +#-DTIMING \ +# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +# -DMOMENT +#-DPARVEC +#-DPARINT -DPARINTDER + +INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh + +FC= ifort + +OPT = -O3 -ip -w + +FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include +FFLAGS1 = -c -w -g -O0 -d2 -CA -CB -I$(INSTALL_DIR)/include +FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include +FFLAGS3 = -c -w -O3 -mp +FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include + + +BIN = ../../../bin/unres/CSA/unres_csa-CASP3_ifort_mpich-1.2.7p1.exe +LIBS = -lpthread -L$(INSTALL_DIR)/lib -lmpich + +ARCH = LINUX +PP = /lib/cpp -P + + +all: unres + +.SUFFIXES: .F +.F.o: + ${FC} ${FFLAGS} ${CPPFLAGS} $*.F + + +object = unres_csa.o arcos.o cartprint.o chainbuild.o initialize_p.o \ + matmult.o readrtns_csa.o parmread.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 \ + gradient_p.o minimize_p.o sumsld.o \ + cored.o rmdd.o geomout_min.o readpdb.o \ + intcartderiv.o \ + MP.o printmat.o convert.o int_to_cart.o \ + dfa.o \ + together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \ + indexx.o prng_32.o contact.o gen_rand_conf.o \ + sc_move.o test.o local_move.o rmsd.o fitsq.o elecont.o djacob.o \ + distfit.o banach.o TMscore_subroutine.o minim_mult.o + +unres: ${object} +# cc -o compinfo compinfo.c +# ./compinfo | true + ${FC} ${FFLAGS} cinfo.f + ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + + +clean: + /bin/rm *.o *.il + +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} ${FFLAGS3} ${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 + +dfa.o : dfa.F + ${FC} -mp ${FFLAGS3} ${CPPFLAGS} dfa.F + + +