Problem with installation

[Isaak Daniels]

How may one modify the make file to do that?

Thank you

On Aug 30, 2:14 am, Urban Borštnik <urban.b... at gmail.com> wrote:
> Hello,
>
> from the output you sent I assume that the PGI compiler that you use
> miscompiles the makedepf90 program.  From experience, the PGI compiler
> is also unable to compile CP2K.  I recommend that you try to use GNU
> gfortran.
>
> Best regards,
> Urban
>
>
>
> On Mon, 2011-08-29 at 10:49 -0700, Isaak Daniels wrote:
> > Here is the output. Thank you
>
> > make LDFLAGS= -C /home/isaak2/cp2k/makefiles/../obj/Linux-x86-64-pgi/
> > tools -f /home/isaak2/cp2k/makefiles/../makefiles/Makefile makedepf90
> > make[1]: Entering directory `/home/isaak2/cp2k/obj/Linux-x86-64-pgi/
> > tools'
> > make[1]: `makedepf90' is up to date.
> > make[1]: Leaving directory `/home/isaak2/cp2k/obj/Linux-x86-64-pgi/
> > tools'
> > make -C /home/isaak2/cp2k/makefiles/../src -f /home/isaak2/cp2k/
> > makefiles/../makefiles/Makefile all.dep
> > make[1]: Entering directory `/home/isaak2/cp2k/src'
> > /home/isaak2/cp2k/makefiles/../obj/Linux-x86-64-gfortran/tools/
> > makedepf90 -m "%m.mod"  -free admm_methods.F admm_types.F ai_angmom.F
> > ai_coulomb.F ai_coulomb_test.F ai_derivatives.F ai_elec_field.F
> > ai_eri_debug.F ai_fermi_contact.F ai_geminals.F ai_geminals_debug.F
> > ai_geminals_utils.F ai_kinetic.F ai_moments.F ai_onecenter.F
> > ai_oneelectron.F ai_os_rr.F ai_overlap_new.F ai_overlap_ppl.F
> > ai_spin_orbit.F ai_verfc.F atom.F atom_basis.F
> > atom_electronic_structure.F atom_energy.F atom_fit.F
> > atom_kind_orbitals.F atom_operators.F atom_optimization.F
> > atom_output.F atom_pseudo.F atom_types.F atom_utils.F atom_xc.F
> > atomic_charges.F atomic_kind_list_types.F atomic_kind_types.F
> > atoms_input.F atprop_types.F averages_types.F barostat_types.F
> > barostat_utils.F basis_set_types.F bessel_lib.F beta_gamma_psi.F
> > bfgs_optimizer.F bibliography.F block_p_types.F bsse.F c_mpi_calls.F
> > cell_opt.F cell_opt_types.F cell_opt_utils.F cell_types.F
> > cg_optimizer.F cg_test.F cg_utils.F cluster_buffers.F
> > cluster_methods.F cluster_types.F colvar_methods.F colvar_types.F
> > colvar_utils.F constraint.F constraint_3x3.F constraint_4x6.F
> > constraint_clv.F constraint_fxd.F constraint_util.F constraint_vsite.F
> > core_ae.F core_ppl.F core_ppnl.F cp2k_debug.F cp2k_info.F cp2k_runs.F
> > cp_array_i_utils.F cp_array_logical_utils.F cp_array_r_utils.F
> > cp_array_utils.F cp_blacs_calls.F cp_blacs_env.F cp_cfm_basic_linalg.F
> > cp_cfm_diag.F cp_cfm_types.F cp_control_types.F cp_control_utils.F
> > cp_dbcsr_cholesky.F cp_dbcsr_diag.F cp_dbcsr_interface.F
> > cp_dbcsr_methods.F cp_dbcsr_operations.F cp_dbcsr_output.F
> > cp_dbcsr_types.F cp_dbcsr_xlat.F cp_ddapc.F cp_ddapc_forces.F
> > cp_ddapc_methods.F cp_ddapc_types.F cp_ddapc_util.F
> > cp_error_handling.F cp_external_control.F cp_files.F
> > cp_fm_basic_linalg.F cp_fm_cholesky.F cp_fm_diag.F cp_fm_pool_types.F
> > cp_fm_struct.F cp_fm_types.F cp_fm_vect.F cp_iter_types.F cp_lbfgs.F
> > cp_lbfgs_geo.F cp_lbfgs_optimizer_gopt.F cp_linked_list_3d_r.F
> > cp_linked_list_char.F cp_linked_list_fm.F cp_linked_list_int.F
> > cp_linked_list_logical.F cp_linked_list_pw.F cp_linked_list_real.F
> > cp_linked_list_rs.F cp_linked_list_val.F cp_linked_list_xc_deriv.F
> > cp_log_handling.F cp_output_handling.F cp_para_env.F cp_para_types.F
> > cp_parser_buffer_types.F cp_parser_ilist_methods.F
> > cp_parser_ilist_types.F cp_parser_inpp_methods.F
> > cp_parser_inpp_types.F cp_parser_methods.F cp_parser_status_types.F
> > cp_parser_types.F cp_result_methods.F cp_result_types.F
> > cp_subsys_methods.F cp_subsys_types.F cp_symmetry.F cp_units.F
> > cpot_types.F csvr_system_dynamics.F csvr_system_init.F
> > csvr_system_mapping.F csvr_system_types.F csvr_system_utils.F
> > cube_utils.F cuda_cublas.F cuda_memory.F d3_poly.F
> > damping_dipole_types.F dbcsr_tests.F dft_plus_u.F dg_rho0_types.F
> > dg_types.F dgs.F dimer_methods.F dimer_types.F dimer_utils.F
> > distribution_1d_types.F distribution_2d_types.F distribution_methods.F
> > distribution_optimize.F dkh_main.F dm_ls_scf.F dm_ls_scf_methods.F
> > dm_ls_scf_qs.F dm_ls_scf_types.F efield_utils.F eigenvalueproblems.F
> > eip_environment.F eip_environment_types.F eip_main.F eip_silicon.F
> > environment.F ep_methods.F ep_qs_methods.F ep_qs_types.F ep_types.F
> > erf_fn.F et_coupling.F et_coupling_types.F ewald_environment_types.F
> > ewald_pw_methods.F ewald_pw_types.F ewald_spline_util.F ewalds.F
> > ewalds_multipole.F ewalds_multipole_debug.F exclusion_types.F
> > extended_system_dynamics.F extended_system_init.F
> > extended_system_mapping.F extended_system_types.F
> > external_potential_methods.F external_potential_types.F f77_blas.F
> > f77_blas_extra.F f77_blas_generic.F f77_blas_netlib.F
> > f77_blas_poison.F f77_int_low.F f77_interface.F farming_methods.F
> > farming_types.F fermi_utils.F fft_tools.F fist_energy_types.F
> > fist_environment.F fist_environment_types.F fist_force.F
> > fist_intra_force.F fist_main.F fist_neighbor_list_control.F
> > fist_neighbor_list_types.F fist_neighbor_lists.F
> > fist_nonbond_env_types.F fist_nonbond_force.F fist_pol_scf.F
> > force_env_methods.F force_env_types.F force_env_utils.F
> > force_field_types.F force_fields.F force_fields_all.F
> > force_fields_ext.F force_fields_input.F force_fields_util.F
> > fp_methods.F fp_types.F fparser.F free_energy_methods.F
> > free_energy_types.F gamma.F gauss_colloc.F gaussian_gridlevels.F
> > geo_opt.F gle_system_dynamics.F gle_system_types.F glob_matching.F
> > global_types.F gopt_f77_methods.F gopt_f_methods.F gopt_f_types.F
> > gopt_param_types.F graphcon.F harris_energy_types.F harris_env_types.F
> > harris_force.F harris_force_types.F harris_functional.F
> > hartree_local_methods.F hartree_local_types.F header.F helium_common.F
> > helium_interactions.F helium_io.F helium_methods.F helium_sampling.F
> > helium_types.F hfx_admm_utils.F hfx_communication.F
> > hfx_compression_core_methods.F hfx_compression_methods.F
> > hfx_contract_block.F hfx_contraction_methods.F hfx_derivatives.F
> > hfx_energy_potential.F hfx_helpers.F hfx_libint_interface.F
> > hfx_libint_wrapper.F hfx_libint_wrapper_types.F
> > hfx_load_balance_methods.F hfx_pair_list_methods.F hfx_ri_gemopt.F
> > hfx_ri_methods.F hfx_screening_methods.F hfx_types.F input_constants.F
> > input_cp2k.F input_cp2k_atom.F input_cp2k_atprop.F
> > input_cp2k_barostats.F input_cp2k_binary_restarts.F input_cp2k_check.F
> > input_cp2k_colvar.F input_cp2k_constraints.F input_cp2k_dft.F
> > input_cp2k_distribution.F input_cp2k_eip.F input_cp2k_force_eval.F
> > input_cp2k_free_energy.F input_cp2k_hfx.F input_cp2k_mixed.F
> > input_cp2k_mm.F input_cp2k_motion.F input_cp2k_poisson.F
> > input_cp2k_qmmm.F input_cp2k_resp.F input_cp2k_restarts.F
> > input_cp2k_rsgrid.F input_cp2k_subsys.F input_cp2k_thermostats.F
> > input_cp2k_vib.F input_cp2k_xc.F input_enumeration_types.F
> > input_keyword_types.F input_optimize_input.F input_parsing.F
> > input_section_types.F input_val_types.F integrator.F
> > integrator_utils.F iterate_matrix.F k290.F kahan_sum.F kinds.F
> > lapack.F lazy.F lebedev.F lgrid_types.F library_tests.F
> > linear_systems.F machine.F manybody_eam.F manybody_potential.F
> > manybody_tersoff.F mathconstants.F mathlib.F mc_control.F
> > mc_coordinates.F mc_ensembles.F mc_environment_types.F mc_ge_moves.F
> > mc_misc.F mc_move_control.F mc_moves.F mc_run.F mc_types.F
> > md_conserved_quantities.F md_ener_types.F md_energies.F
> > md_environment_types.F md_run.F md_util.F md_vel_utils.F
> > memory_utilities.F message_passing.F metadynamics.F
> > metadynamics_types.F metadynamics_utils.F mixed_energy_types.F
> > mixed_environment.F mixed_environment_types.F
> > mixed_environment_utils.F mixed_main.F mm_collocate_potential.F
> > mm_mapping_library.F mode_selective.F mol_force.F
> > mol_kind_new_list_types.F mol_new_list_types.F molden_utils.F
> > molecular_states.F molecule_kind_types.F molecule_types_new.F molsym.F
> > moments_utils.F motion_utils.F mt_util.F mulliken.F multipole_types.F
> > neb_io.F neb_md_utils.F neb_methods.F neb_opt_utils.F neb_types.F
> > neb_utils.F optimize_input.F orbital_pointers.F orbital_symbols.F
> > orbital_transformation_matrices.F pair_potential.F
> > pair_potential_coulomb.F pair_potential_types.F pair_potential_util.F
> > parallel_rng_types.F particle_list_types.F particle_types.F
> > paw_proj_set_types.F periodic_table.F physcon.F pint_gle.F pint_io.F
> > pint_methods.F pint_normalmode.F pint_public.F pint_staging.F
> > pint_transformations.F pint_types.F pme.F pme_tools.F
> > population_analyses.F powell.F preconditioner.F preconditioner_types.F
> > ps_wavelet_base.F ps_wavelet_fft3d.F ps_wavelet_kernel.F
> > ps_wavelet_scaling_function.F ps_wavelet_types.F ps_wavelet_util.F
> > pw_env_methods.F pw_env_types.F pw_grid_info.F pw_grid_types.F
> > pw_grids.F pw_methods.F pw_methods_cuda.F pw_poisson_methods.F
> > pw_poisson_types.F pw_pool_types.F pw_spline_utils.F pw_types.F
> > qmmm_elpot.F qmmm_ff_fist.F qmmm_gaussian_data.F qmmm_gaussian_init.F
> > qmmm_gaussian_input.F qmmm_gaussian_types.F qmmm_gpw_energy.F
> > qmmm_gpw_forces.F qmmm_init.F qmmm_links_methods.F qmmm_main.F
> > qmmm_per_elpot.F qmmm_pw_grid.F qmmm_se_energy.F qmmm_se_forces.F
> > qmmm_topology_util.F qmmm_types.F qmmm_util.F
> > qs_block_davidson_types.F qs_charges_types.F qs_collocate_density.F
> > qs_conductivity.F qs_core_energies.F qs_core_hamiltonian.F
> > qs_density_mixing_types.F qs_dftb_coulomb.F qs_dftb_dispersion.F
> > qs_dftb_matrices.F qs_dftb_parameters.F qs_dftb_types.F
> > qs_dftb_utils.F qs_diis.F qs_diis_types.F qs_dispersion_pairpot.F
> > qs_dispersion_types.F qs_efield_berry.F qs_elec_field.F
> > qs_electric_field_gradient.F qs_energy.F qs_energy_types.F
> > qs_environment.F qs_environment_methods.F qs_environment_types.F
> > qs_epr_hyp.F qs_external_potential.F qs_fermi_contact.F qs_force.F
> > qs_force_types.F qs_gapw_densities.F qs_geminals.F qs_grid_atom.F
> > qs_gspace_mixing.F qs_harmonics_atom.F qs_initial_guess.F
> > qs_integrate_potential.F qs_interactions.F qs_kinetic.F
> > qs_kpp1_env_methods.F qs_kpp1_env_types.F qs_ks_apply_restraints.F
> > qs_ks_atom.F qs_ks_methods.F qs_ks_qmmm_methods.F qs_ks_qmmm_types.F
> > qs_ks_scp_methods.F qs_ks_scp_types.F qs_ks_types.F
> > qs_linres_atom_current.F qs_linres_current.F qs_linres_current_utils.F
> > qs_linres_epr_nablavks.F
>
> ...
>
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