X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_MPICH_gfortran;fp=source%2Funres%2Fsrc_CSA_DiL%2FMakefile_MPICH_gfortran;h=c6cca6c60fb29cfe42f47ee21be66479402d4c0f;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/unres/src_CSA_DiL/Makefile_MPICH_gfortran b/source/unres/src_CSA_DiL/Makefile_MPICH_gfortran new file mode 100644 index 0000000..c6cca6c --- /dev/null +++ b/source/unres/src_CSA_DiL/Makefile_MPICH_gfortran @@ -0,0 +1,130 @@ +################################################################### +INSTALL_DIR = /users/software/mpich2-1.0.7 + +FC= gfortran + +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 -lpthread + +ARCH = LINUX +PP = /lib/cpp -P + + +all: no_option + @echo "Specify force field: GAB, E0LL2Y, 4P or CASP3" + +.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 refsys.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/CSA/unres_csa-DL_gfort_MPICH_GAB.exe +GAB: ${object} + 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/CSA/unres_csa-DL_gfort_MPICH_E0LL2Y.exe +E0LL2Y: ${object} + cc -o compinfo compinfo.c + ./compinfo | true + ${FC} ${FFLAGS} cinfo.f + ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + +4P: CPPFLAGS = -DLINUX -DG77 -DISNAN -DMP -DMPI -DUNRES \ + -DSPLITELE -DAMD64 -DLANG0 \ + -DCRYST_BOND -DCRYST_THETA -DCRYST_SC +4P: BIN = ../../../bin/unres/CSA/unres_csa-DL_gfort_MPICH_4P.exe +4P: ${object} + cc -o compinfo compinfo.c + ./compinfo | true + ${FC} ${FFLAGS} cinfo.f + ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN} + +clean: + /bin/rm -f *.o && /bin/rm -f compinfo + +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