I got an AMD64. Should it be possible to compile the g95 from source? I don't see an AMD64 G95 compiler listed.<br><br>
<div class="gmail_quote">On Jan 10, 2008 12:59 PM, Jack Shultz <<a href="mailto:jackyg...@gmail.com">jackyg...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div>Maybe. I'm checking on architecture. I think I used Linux x86</div>
<div>But this is a 64-bit. Not sure which chip.</div><font color="#888888">
<div> </div>
<div>Jack</div></font>
<div>
<div></div>
<div class="Wj3C7c">
<div><br> </div>
<div class="gmail_quote">On Jan 10, 2008 12:33 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">are you sure you're using the proper g95 compiler for your architecture? 
<div>
<div></div>
<div>
<div><br>
<div>
<div>On 10 Jan 2008, at 18:22, Jack Shultz wrote:</div><br>
<blockquote type="cite">Error: Unexpected array reference at (1)<br>Fatal Error: Too many errors, aborting.<br>make[2]: *** [ctrig.o] Error 1<br>make[2]: *** [fftrot.o] Error 1<br>make[2]: Leaving directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/sopt' 
<br>make[1]: *** [build] Error 2<br>make[1]: Leaving directory `/home/d0r1hy/cp2k/makefiles'<br>make: *** [sopt] Error 2<br><br><br>
<div class="gmail_quote">On Jan 10, 2008 12:16 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">maybe if you'd post the error message... 
<div><br></div>
<div>
<div>
<div>
<div>On 10 Jan 2008, at 18:14, Jack Shultz wrote:</div><br></div>
<blockquote type="cite">
<div>
<div>Any ideas why my make fails? Before I ran I tried to set the library path to my home directory for G95. Attached is my Make output. </div>
<div>G95_LIB=${G95_LIB}:/home/d0r1hy/lib/</div>
<div> </div>
<div><a href="mailto:d0r...@amd64" target="_blank">d0r1hy@amd64</a> ~ $ ls<br>ATLAS              bin   cp2k.tar.gz  fftw-3.1.2.tar.gz  include  libint-1.1.2         public_html<br>atlas3.8.0.tar.gz  cp2k  fftw-3.1.2   g95-install        lib      
libint-1.1.2.tar.gz  share<br><a href="mailto:d0r...@amd64" target="_blank">d0r1hy@amd64</a> ~ $ ls lib<br>libatlas.a  libcblas.a  libf77blas.a  libfftw3.a  <a href="http://libfftw3.la/" target="_blank">libfftw3.la</a>  liblapack.a
   pkgconfig<br><a href="mailto:d0r...@amd64" target="_blank">d0r1hy@amd64</a> ~ $ <br><br><br></div>
<div class="gmail_quote">On Jan 10, 2008 11:54 AM, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div style="WORD-WRAP: break-word">absolutely not an issue. 
<div><br></div>
<div>cheers,</div>
<div>teo<br>
<div><br>
<div>
<div>
<div>On 10 Jan 2008, at 17:52, Jack Shultz wrote:</div><br>
<blockquote type="cite"><span style="WORD-SPACING: 0px; FONT: 12px Helvetica; TEXT-TRANSFORM: none; COLOR: rgb(0,0,0); TEXT-INDENT: 0px; WHITE-SPACE: normal; LETTER-SPACING: normal; BORDER-COLLAPSE: separate">Is that an issue? 
</span></blockquote></div><br></div></div></div>
<div><br></div></div><br></blockquote></div><br><br><br><br></div>
<div style="MARGIN: 0px">make -r -f /home/d0r1hy/cp2k/makefiles/../makefiles/Makefile VERSION=sopt build</div>
<div style="MARGIN: 0px">make[1]: Entering directory `/home/d0r1hy/cp2k/makefiles'</div>
<div style="MARGIN: 0px">make -r -C /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools -f /home/d0r1hy/cp2k/makefiles/../makefiles/Makefile makedepf90</div>
<div style="MARGIN: 0px">make[2]: Entering directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools'</div>
<div style="MARGIN: 0px">test -d /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools/makedepf90-build || cp -r /home/d0r1hy/cp2k/makefiles/../tools/makedepf90 makedepf90-build</div>
<div style="MARGIN: 0px">{ cd makedepf90-build ; ./configure --prefix=/home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools --bindir=/home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools ; make VERSION="2.8.8
 " ; make install ; }</div>
<div style="MARGIN: 0px">checking for gcc... gcc</div>
<div style="MARGIN: 0px">checking for C compiler default output file name... a.out</div>
<div style="MARGIN: 0px">checking whether the C compiler works... yes</div>
<div style="MARGIN: 0px">checking whether we are cross compiling... no</div>
<div style="MARGIN: 0px">checking for suffix of executables...<span> </span></div>
<div style="MARGIN: 0px">checking for suffix of object files... o</div>
<div style="MARGIN: 0px">checking whether we are using the GNU C compiler... yes</div>
<div style="MARGIN: 0px">checking whether gcc accepts -g... yes</div>
<div style="MARGIN: 0px">checking for gcc option to accept ANSI C... none needed</div>
<div style="MARGIN: 0px">checking for flex... flex</div>
<div style="MARGIN: 0px">checking for yywrap in -lfl... yes</div>
<div style="MARGIN: 0px">checking lex output file root... lex.yy</div>
<div style="MARGIN: 0px">checking whether yytext is a pointer... yes</div>
<div style="MARGIN: 0px">checking for bison... bison -y</div>
<div style="MARGIN: 0px">checking for a BSD-compatible install... /usr/bin/install -c</div>
<div style="MARGIN: 0px">checking how to run the C preprocessor... gcc -E</div>
<div style="MARGIN: 0px">checking for egrep... grep -E</div>
<div style="MARGIN: 0px">checking for working alloca.h... yes</div>
<div style="MARGIN: 0px">checking for alloca... yes</div>
<div style="MARGIN: 0px">checking for strcasecmp... yes</div>
<div style="MARGIN: 0px">configure: creating ./config.status</div>
<div style="MARGIN: 0px">config.status: creating Makefile</div>
<div style="MARGIN: 0px">config.status: creating config.h</div>
<div style="MARGIN: 0px">config.status: config.h is unchanged</div>
<div style="MARGIN: 0px">make[3]: Entering directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools/makedepf90-build'</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" errormesg.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" list.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" macro.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" main.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" modfile_name.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" utils.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" xmalloc.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" find_dep.c</div>
<div style="MARGIN: 0px">gcc -c -g -O2 -DVERSION=\"2.8.8\" lexer.c</div>
<div style="MARGIN: 0px">gcc -o makedepf90 -DVERSION=\"2.8.8\" -g -O2 errormesg.o list.o macro.o main.o modfile_name.o utils.o xmalloc.o find_dep.o lexer.o <span> </span></div>
<div style="MARGIN: 0px">make[3]: Leaving directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools/makedepf90-build'</div>
<div style="MARGIN: 0px">make[3]: Entering directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools/makedepf90-build'</div>
<div style="MARGIN: 0px">/usr/bin/install -c -d /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools</div>
<div style="MARGIN: 0px">/usr/bin/install -c makedepf90 /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools</div>
<div style="MARGIN: 0px">/usr/bin/install -c -d /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools/man/man1</div>
<div style="MARGIN: 0px">/usr/bin/install -c -m 644 makedepf90.1 /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools/man/man1</div>
<div style="MARGIN: 0px">make[3]: Leaving directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools/makedepf90-build'</div>
<div style="MARGIN: 0px">make[2]: Leaving directory `/home/d0r1hy/cp2k/obj/Linux-x86-64-g95/tools'</div>
<div style="MARGIN: 0px">make -r -C /home/d0r1hy/cp2k/makefiles/../src -f /home/d0r1hy/cp2k/makefiles/../makefiles/Makefile all.dep</div>
<div style="MARGIN: 0px">make[2]: Entering directory `/home/d0r1hy/cp2k/src'</div>
<div style="MARGIN: 0px">/home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/tools/makedepf90 -m "%m.mod" -free ai_angmom.F ai_coulomb.F ai_derivatives.F ai_kinetic.F ai_moments.F ai_overlap_new.F ai_overlap_ppl.F ai_verfc.F atomic_charges.F atomic_kind_list_types.F atomic_kind_types.F atoms_input.F barostat_types.F basis_set_types.F bessel_lib.F beta_gamma_psi.F bfgs_optimizer.F 
bibliography.F block_p_types.F bsse.F cell_types.F cg_optimizer.F cg_test.F colvar_methods.F colvar_types.F constraint.F constraint_3x3.F constraint_4x6.F constraint_clv.F constraint_fxd.F constraint_util.F convert_units.F cp2k_info.F cp2k_runs.F cp2k_units.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_ddapc.F cp_ddapc_forces.F cp_ddapc_methods.F cp_ddapc_types.F cp_ddapc_util.F cp_error_handling.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_lbfgs.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_sm.F cp_linked_list_val.F cp_linked_list_xc_deriv.F cp_log_handling.F cp_matrix_utils.F cp_output_handling.F cp_para_env.F cp_para_types.F cp_parser.F cp_result_types.F cp_rs_pool_types.F cp_sm_fm_interactions.F cp_sm_pool_types.F cp_sm_struct.F cp_subsys_methods.F cp_subsys_types.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 dg_rho0_types.F dg_types.F 
dgs.F distribution_1d_types.F distribution_2d_types.F distribution_methods.F distribution_optimize.F dynamical_coeff_types.F eigenvalueproblems.F environment.F erf_fn.F eip_environment.F eip_environment_types.F eip_main.F eip_silicon.F ep_methods.F ep_types.F ep_qs_methods.F ep_qs_types.F et_coupling_types.F et_coupling.F ewald_environment_types.F ewald_pw_methods.F ewald_pw_types.F ewald_spline_util.F 
ewalds.F ewalds_multipole.F extended_system_dynamics.F extended_system_init.F extended_system_mapping.F extended_system_types.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.F fft_tools.F fist_debug.F fist_energy_types.F fist_environment.F fist_environment_types.F fist_force.F fist_force_numer.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 force_env_methods.F force_env_types.F force_field_types.F force_fields.F force_fields_all.F force_fields_input.F force_fields_util.F four_center_integrals.F 
fparser.F fp_types.F fp_methods.F free_energy_methods.F free_energy_types.F gamma.F gaussian_gridlevels.F geo_opt.F glob_matching.F global_types.F gopt_f_types.F graphcon.F harris_energy_types.F harris_env_types.F harris_force.F harris_force_types.F harris_functional.F hartree_local_2centers.F hartree_local_3centers.F hartree_local_methods.F hartree_local_types.F 
header.F input_constants.F input_cp2k.F input_cp2k_barostats.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_free_energy.F input_cp2k_hfx.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_subsys.F input_cp2k_thermostats.F input_enumeration_types.F input_keyword_types.F input_parsing.F input_section_types.F input_val_types.F 
integrator.F kahan_sum.F kg_core.F kg_density.F kg_diis_methods.F kg_diis_types.F kg_energy.F kg_energy_types.F kg_energy_utils.F kg_environment.F kg_environment_methods.F kg_environment_types.F kg_force.F kg_force_types.F kg_gpw_collocate_den.F kg_gpw_correction.F kg_gpw_fm_mol_methods.F kg_gpw_fm_mol_types.F kg_gpw_fm_mol_utils.F kg_gpw_pw_env_methods.F kg_gpw_pw_env_types.F kg_gpw_wf_history.F kg_intra.F kg_kxc.F kg_main.F kg_neighbor_lists.F kg_ppl.F kg_rho_methods.F kg_rho_types.F kg_rspw_methods.F kg_rspw_types.F kg_scf.F kg_scf_post.F kg_scf_types.F 
kinds.F lapack.F lazy.F lebedev.F libint_interface.F libint_wrapper.F library_tests.F linear_systems.F lowdin.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.F md_conserved_quantities.F md_energies.F md_environment_types.F md_run.F md_util.F memory_utilities.F message_passing.F metadynamics.F metadynamics_types.F mixed_energy_types.F mixed_environment.F mixed_environment_types.F mixed_main.F mm_collocate_potential.F mm_mapping_library.F mol_force.F mol_kind_new_list_types.F mol_new_list_types.F molecular_states.F molecule_kind_types.F molecule_types_new.F moments_utils.F mt_util.F 
mulliken.F multipole_types.F nddo_methods.F neb_io.F neb_methods.F neb_md_utils.F neb_opt_utils.F neb_types.F neb_utils.F orbital_pointers.F orbital_symbols.F orbital_transformation_matrices.F pair_potential.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_methods.F pint_types.F pme.F pme_tools.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 preconditioner.F pw_env_methods.F pw_env_types.F pw_grid_info.F pw_grid_types.F pw_grids.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_all_potential.F qs_charges_types.F qs_collocate_density.F qs_conductivity.F qs_core_energies.F qs_core_hamiltonian.F qs_debug.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_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_force.F qs_force_types.F qs_gapw_densities.F qs_grid_atom.F qs_harmonics_atom.F qs_initial_guess.F qs_integrate_potential.F qs_interactions.F qs_kpp1_env_methods.F qs_kpp1_env_types.F qs_ks_atom.F qs_ks_methods.F qs_ks_qmmm_methods.F qs_ks_qmmm_types.F qs_ks_types.F qs_linres_epr_atom_current.F qs_linres_epr_bind0.F qs_linres_epr_current.F qs_linres_epr_nablavks.F qs_linres_epr_op.F qs_linres_epr_ownutils.F qs_linres_epr_utils.F qs_linres_methods.F qs_linres_module.F qs_linres_nmr_atom_current.F qs_linres_nmr_current.F qs_linres_nmr_op.F qs_linres_nmr_shift.F qs_linres_nmr_utils.F qs_linres_types.F qs_loc_control.F qs_loc_methods.F qs_loc_types.F qs_loc_utils.F qs_local_rho_types.F qs_localization.F qs_localization_methods.F qs_main.F qs_matrix_pools.F qs_mo_methods.F qs_mo_types.F qs_modify_pab_block.F qs_moments.F qs_neighbor_list_types.F qs_neighbor_lists.F qs_numerical_pressure.F qs_oce_methods.F qs_oce_types.F qs_operators_ao.F qs_ot.F qs_ot_eigensolver.F qs_ot_minimizer.F qs_ot_scf.F qs_outer_scf.F qs_overlap.F qs_p_env_methods.F qs_p_env_types.F qs_p_sparse_psi.F qs_resp.F qs_rho0_ggrid.F qs_rho0_methods.F qs_rho0_types.F qs_rho_atom_methods.F qs_rho_atom_types.F qs_rho_methods.F qs_rho_types.F qs_scf.F qs_scf_methods.F qs_scf_post.F qs_scf_types.F qs_semi_empirical_hamiltonian.F qs_tddfpt_eigensolver.F qs_tddfpt_module.F qs_tddfpt_types.F qs_tddfpt_utils.F qs_util.F qs_vxc_atom.F qs_wf_history_methods.F qs_wf_history_types.F real_space_test.F realspace_grid_cube.F realspace_grid_types.F realspace_task_selection.F reference_manager.F reftraj_types.F reftraj_util.F replica_methods.F replica_types.F 
restraint.F rmsd.F s_square_methods.F scf_control_types.F semi_empirical_integrals.F semi_empirical_int_ana.F semi_empirical_parameters.F semi_empirical_types.F semi_empirical_utils.F shell_potential_types.F soft_basis_set.F sparse_matrix_output.F sparse_matrix_types.F spherical_harmonics.F splines_methods.F splines_types.F 
spme.F sto_ng.F string_table.F string_utilities.F structure_factor_types.F structure_factors.F termination.F thermostat_mapping.F thermostat_methods.F thermostat_types.F thermostat_utils.F timings.F topology.F topology_coordinate_util.F topology_connectivity_util.F topology_constraint_util.F topology_generate_util.F topology_gromos.F topology_input.F topology_pdb.F topology_psf.F topology_types.F topology_util.F topology_xyz.F 
util.F velocity_verlet_control.F vibrational_analysis.F virial_methods.F virial_types.F whittaker.F wiener_process.F x_hf.F x_hf_compression_methods.F x_hf_distribution_mc.F xas_control.F xas_env_types.F xas_methods.F xas_restart.F xas_tp_scf.F 
xc.F xc_atom.F xc_cs1.F xc_derivative_desc.F xc_derivative_set_types.F xc_derivative_types.F xc_derivatives.F xc_exchange_gga.F xc_functionals_utilities.F xc_hcth.F xc_ke_gga.F xc_lyp.F xc_optx.F xc_pade.F xc_pbe.F xc_perdew86.F xc_perdew_wang.F xc_perdew_zunger.F xc_pot_saop.F xc_rho_cflags_types.F xc_rho_set_types.F xc_tfw.F xc_thomas_fermi.F xc_tpss.F xc_vwn.F xc_xalpha.F xc_xbecke88.F xc_xbecke88_long_range.F xc_xwpbe.F xray_diffraction.F machine_g95.F cp_common_uses.h 
cp2k.F > /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/sopt/all.dep</div>
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ctrig.F fftpre.F fftrot.F fftstp.F mltfftsg_tools.F mltfftsg.F > /home/d0r1hy/cp2k/makefiles/../obj/Linux-x86-64-g95/sopt/lib.dep</div>
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