Try add .c to the SUFFIXES list.


2016-10-14 12:32 GMT+02:00 T. Liu <tl...@cam.ac.uk>:

> Dear all,
>
> I can compile 4.0 with the following arch.make
>
> arch.make
> ----------------------------
> #
> # Copyright (C) 1996-2016       The SIESTA group
> #  This file is distributed under the terms of the
> #  GNU General Public License: see COPYING in the top directory
> #  or http://www.gnu.org/copyleft/gpl.txt.
> # See Docs/Contributors.txt for a list of contributors.
> #
> .SUFFIXES:
> .SUFFIXES: .f .F .o .a .f90 .F90
>
> SIESTA_ARCH=x86_64-unknown-linux-gnu--unknown
>
> FPP=
> FPP_OUTPUT=
> FC=mpifc
> RANLIB=ranlib
>
> SYS=nag
>
> SP_KIND=4
> DP_KIND=8
> KINDS=$(SP_KIND) $(DP_KIND)
>
> FFLAGS=-g -O2
> FPPFLAGS= -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DMPI
> LDFLAGS=
>
> ARFLAGS_EXTRA=
>
> FCFLAGS_fixed_f=
> FCFLAGS_free_f90=
> FPPFLAGS_fixed_F=
> FPPFLAGS_free_F90=
>
> BLAS_LIBS=-lblas
> LAPACK_LIBS=-llapack
> BLACS_LIBS=
> SCALAPACK_LIBS=
>
>
> #DUMMY_FOX=--enable-dummy
>
> NETCDF_LIBS=
> NETCDF_INTERFACE=
>
> COMP_LIBS=dc_lapack.a
>
> #LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS)
> $(NETCDF_LIBS)
>
> LIBS=-L${MKLROOT}/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64
> -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_lp64 -lpthread -lm
>
> #SIESTA needs an F90 interface to MPI
> #This will give you SIESTA's own implementation
> #If your compiler vendor offers an alternative, you may change
> #to it here.
> MPI_INTERFACE=libmpi_f90.a
> MPI_INCLUDE= .
>
> #Dependency rules are created by autoconf according to whether
> #discrete preprocessing is necessary or not.
> .F.o:
>         $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F)  $<
> .F90.o:
>         $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $<
> .f.o:
>         $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f)  $<
> .f90.o:
>         $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90)  $<
>
> --------------------------------------
>
> Then I just changed COMP_LIBS=dc_lapack.a to COMP_LIBS +=
> libsiestaLAPACK.a to compile the Siesta trunk 572. It seems it almost
> finished but an error shows up at the bottom (error message shown
> below,"gfortran: sockets.o: No such file or directory"). Could you please
> suggest what happen and how to fix that? Thanks.
>
> ...
> ...
> mpifc -c -g -O2    `FoX/FoX-config --fcflags` -DFC_HAVE_FLUSH
> -DFC_HAVE_ABORT -DMPI  /home/tl439/~siesta-maint/sies
> ta/trunk/Src/m_monitor.F90
> mpifc -c -g -O2    `FoX/FoX-config --fcflags`
>  /home/tl439/~siesta-maint/siesta/trunk/Src/nag.f
> mpifc -c -g -O2    `FoX/FoX-config --fcflags` -DFC_HAVE_FLUSH
> -DFC_HAVE_ABORT -DMPI  /home/tl439/~siesta-maint/siesta/trunk/Src/pxf.F90
> mpifc -c -g -O2    `FoX/FoX-config --fcflags` -DFC_HAVE_FLUSH
> -DFC_HAVE_ABORT -DMPI   /home/tl439/~siesta-maint/sie
> sta/trunk/Src/siesta.F
> mpifc -o siesta \
>                 automatic_cell.o atom_options.o arw.o  atomlwf.o bands.o
> basis_enthalpy.o bessph.o bonds.o born_charge.o cellxc_mod.o cgwf.o
> chkdim.o chkgmx.o chempot.o coceri.o coxmol.o cross.o compute_norm.o
> denmat.o denmatlomem.o detover.o dfscf.o m_diagon_opt.o diagon.o digcel.o
> fft.o dhscf.o constr.o diagk_file.o diagg.o diagk.o diagkp.o diag2g.o
> diag2k.o diag3g.o diag3k.o diagpol.o diagsprl.o dipole.o dismin.o dnaefs.o
> doping_uniform.o dot.o m_efield.o egandd.o ener3.o ener3lomem.o errorf.o
> extrapolon.o m_fixed.o interpolation.o gradient.o gradientlomem.o grdsam.o
> hsparse.o idiag.o  initatom.o inver.o iodm_netcdf.o iodmhs_netcdf.o
> iogrid_netcdf.o iolwf.o iozm.o ipack.o iopipes.o iosockets.o iowfs_netcdf.o
> kgrid.o kgridinit.o kinefsm.o ksv.o ksvinit.o linpack.o local_DOS.o
> madelung.o mesh.o meshphi.o meshdscf.o memory.o meshsubs.o metaforce.o
> m_supercell.o mulliken.o minvec.o naefs.o m_new_dm.o normalize_dm.o
> ordern.o outcell.o outcoor.o m_fft_gpfa.o paste.o pdos.o pdosg.o pdosk.o
> pdoskp.o phirphi.o pixmol.o plcharge.o projected_DOS.o propor.o
> m_partial_charges.o randomg.o reclat.o redcel.o reinit.o reord.o reordpsi.o
> rhoofd.o rhoofdsp.o rhooda.o savepsi.o shaper.o timer_tree.o timer.o vmb.o
> vmat.o vmatsp.o volcel.o cdiag.o rdiag.o cgvc.o cgvc_zmatrix.o
> m_convergence.o iocg.o ioeig.o iofa.o iokp.o iomd.o kpoint_pdos.o
> typecell.o ofc.o poison.o readsp.o radfft.o write_md_record.o kpoint_grid.o
> find_kgrid.o proximity_check.o state_init.o siesta_move.o
> setup_hamiltonian.o compute_dm.o mixer.o scfconvergence_test.o
> post_scf_work.o state_analysis.o write_subs.o siesta_init.o struct_init.o
> siesta_options.o read_options.o siesta_geom.o siesta_analysis.o
> siesta_end.o siesta_forces.o io.o sparse_matrices.o coor.o atm_transfer.o
> broadcast_basis.o eggbox.o dsyevds.o zheevds.o optical.o phirphi_opt.o
> reoptical.o transition_rate.o initparallel.o show_distribution.o
> setspatial.o setatomnodes.o uncell.o cart2frac.o obc.o precision.o sys.o
> m_cell.o files.o spatial.o parallel.o parallelsubs.o  parsing.o chemical.o
> atom.o atmparams.o m_mpi_utils.o fdf_extra.o m_iorho.o atmfuncs.o listsc.o
> memoryinfo.o m_memory.o sorting.o atomlist.o atm_types.o old_atmfuncs.o
> radial.o alloc.o spher_harm.o periodic_table.o version.o timestamp.o
> basis_types.o xml.o pseudopotential.o basis_specs.o basis_io.o ldau.o
> ldau_specs.o onmod.o densematrix.o writewave.o on_subs.o fermid.o
> m_broyddj.o electrostatic.o mneighb.o globalise.o siesta_cmlsubs.o
> siesta_cml.o units.o zmatrix.o m_broyden_mixing.o forhar.o m_walltime.o
> m_wallclock.o m_iostruct.o nlefsm.o overfsm.o overlap.o conjgr.o
> conjgr_old.o m_energies.o m_steps.o m_broyddj_nocomm.o broyden_optim.o
> ioxv.o dynamics.o md_out.o molecularmechanics.o zm_broyden_optim.o
> cell_broyden_optim.o remove_intramol_pressure.o m_ntm.o m_dipol.o
> m_kinetic.o m_rmaxh.o m_forces.o m_stress.o m_eo.o m_spin.o m_gamma.o
> m_hsx.o m_fire.o setup_H0.o get_kpoints_scale.o get_target_stress.o
> fire_optim.o zm_fire_optim.o cell_fire_optim.o m_fire_para.o
> m_fire_mixing.o write_raw_efs.o pdos2g.o pdos2k.o pdos3g.o pdos3k.o
> spinorbit.o moments.o fsiesta_mpi.o final_H_f_stress.o debugmpi.o qsort.o
> save_density_matrix.o m_dscfcomm.o schecomm.o moremeshsubs.o domain_decom.o
> printmatrix.o mmio.o pspltm1.o lenstr.o setup_ordern_indexes.o m_iodm.o
> m_iodm_old.o m_filter.o m_io.o m_timer.o extrae_module.o
> extrae_eventllist.o moreParallelSubs.o read_xc_info.o siesta_master.o
> bsc_xcmod.o bsc_cellxc.o xc.o vacuum_level.o write_orb_indx.o rdiag_elpa.o
> elpa1.o elpa2.o elpa2_kernels.o rdiag_mrrr.o die.o m_pexsi.o
> m_pexsi_driver.o m_pexsi_dos.o m_pexsi_local_dos.o m_redist_spmatrix.o
> class_Distribution.o m_dminim.o m_zminim.o m_getopts.o f2kcli.o m_svd.o
> m_matio.o rusage.o memory_snapshot.o compute_ebs_shift.o memory_all.o
> matel_registry.o register_rfs.o new_matel.o kpoint_convert.o
> m_target_stress.o compute_max_diff.o m_initwf.o wavefunctions.o m_evolve.o
> evolk.o evolg.o changebasis.o m_iotddft.o m_matdiag.o m_matswinvers.o
> m_mixing.o m_mixing_scf.o m_trialorbitalclass.o siesta2wannier90.o
> m_planewavematrixvar.o delk.o m_planewavematrix.o m_digest_nnkp.o
> broadcast_projections.o compute_pw_matrix.o m_writedelk.o mmn.o
> m_noccbands.o amn.o m_overkkneig.o write_inp_wannier.o diagonalizeHk.o
> m_orderbands.o class_OrbitalDistribution.o class_Sparsity.o class_Data1D.o
> class_Data2D.o class_SpData1D.o class_SpData2D.o restructSpData2D.o
> extrapolateSpData2D.o class_Geometry.o class_Fstack_Data1D.o
> class_Pair_Data1D.o class_Fstack_Pair_Data1D.o
> class_Pair_Geometry_SpData2D.o class_Fstack_Pair_Geometry_SpData2D.o
> class_Pair_SpData1D.o class_Fstack_Pair_SpData1D.o class_TriMat.o
> m_trimat_invert.o m_uuid.o object_debug.o m_rhog.o rhofft.o m_diis.o
> compute_energies.o m_char.o m_os.o intrinsic_missing.o geom_helper.o
> m_sparse.o m_handle_sparse.o m_mesh_node.o create_Sparsity_SC.o
> create_Sparsity_Union.o m_gauss_quad.o m_gauss_fermi_inf.o
> m_gauss_fermi_30.o m_gauss_fermi_28.o m_gauss_fermi_26.o m_gauss_fermi_24.o
> m_gauss_fermi_22.o m_gauss_fermi_20.o m_gauss_fermi_19.o m_gauss_fermi_18.o
> m_gauss_fermi_17.o m_integrate.o m_interpolate.o m_mat_invert.o m_monitor.o
> m_iterator.o m_pivot_array.o m_pivot.o m_pivot_methods.o atom_graph.o
> m_geom_aux.o m_geom_objects.o m_geom_box.o m_geom_coord.o m_geom_square.o
> m_geom_plane.o m_charge_add.o m_hartree_add.o m_io_s.o m_region.o
> m_sparsity_handling.o m_ncdf_siesta.o m_ncdf_io.o m_exp_coord.o
> flook_siesta.o siesta_dicts.o m_cite.o m_ts_io.o nag.o pxf.o sockets.o
> fsockets.o  siesta.o libfdf.a MatrixSwitch.a  libxmlparser.a \
>                libSiestaXC.a libmpi_f90.a \
>                libsiestaLAPACK.a `FoX/FoX-config --libs --wcml`
> -L/usr/local/Cluster-Apps/intel/mkl/10.3.10.319/composer_xe_
> 2011_sp1.10.319/mkl/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64
> -lmkl_core -lmkl_sequential -lmkl_blacs_intelmpi_lp64 -lpthread -lm
> gfortran: sockets.o: No such file or directory
> make: *** [siesta] Error 1
>
> Regards,
> Tao
>
>


-- 
Kind regards Nick

Responder a