Quickly building CP2K under Ubuntu 11.10.

[Urban Borštnik]

Hi,

CP2K 2.2, without HFX for Ubuntu (11.10).  I just tested this.  It's not
the fastest possible but it quickly gets you something to work with.

1. Install the required packages (this will also pull in some
dependencies):
        sudo aptitude install gfortran libatlas-base-dev libscalapack-mpi-dev libfftw3-dev

2. Check out CP2K from SVN
        svn co https://cp2k.svn.sourceforge.net/svnroot/cp2k cp2k

3. Go to the proper directory (e.g., for 2.2):
        cd cp2k/branches/cp2k-2_2-branch/cp2k/arch

4. For pre-trunk builds (i.e., 2.2) take the __FILE__ out
of ../src/cp_common_uses; this is fixed in the the SVN trunk. Simply
remove the __FILE__// from ~ line 25 to read
#define CPSourceFileRef ' line '//cp_to_string(__LINE__)

5. Build! (For faster builds, change 4 to reflect number of cores.)
        make -j 4 -f ../makefiles/Makefile ARCH=Linux-x86-64-gfortran.sopt VERSION=sopt

6. For a parallel version use the following Linux-x86-64-gfortran.popt 
arch file:

#--- cut ---#
CC       = cc
CPP      = 
FC       = mpif90 
LD       = mpif90
AR       = ar -r
DFLAGS   = -D__GFORTRAN -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3
CPPFLAGS = 
FCFLAGS  = $(DFLAGS) -ffree-form -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native -g
LDFLAGS  = $(FCFLAGS)
LIBS     = -lscalapack-openmpi \
           -lblacsF77init-openmpi -lblacs-openmpi \
           -lfftw3 \
           -llapack \
           -lblas

OBJECTS_ARCHITECTURE = machine_gfortran.o
#--- cut ---#

7. Build!
        make -j 4 -f ../makefiles/Makefile ARCH=Linux-x86-64-gfortran.opt VERSION=popt
        

I just tested this. I see some issues with OpenMPI taking a lot of
system time so using only 2 cores on my 4-core desktop seems to be
fastest.

If you want faster executables then I suggest you rebuild ATLAS from
scratch (as you already have--you can just use that) and then build
libsmm (please look at the INSTALL file for hints; it's built on top of
BLAS so you should have a nice BLAS first).  You might also look into
installing other BLAS/Lapack libraries such as OpenBLAS, Intel MKL,
ACML, ... .

Cheers,
Urban.

On Mon, 2012-03-26 at 10:47 -0700, Milky Way wrote:
> Hi,
> 
> my lecturer came up with some examples running cp2k some time ago in
> my classes. I liked it, so I decieded to give it a try. I removed
> Windows from my disk and installed Ubuntu 12.04 on my disk and I like
> it quite a bit, though I am not an expert.
> 
> Unfortunately I get errors while compiling.
> 
> I follow these instructions: http://billbrouwer.wordpress.com/2009/04/08/cp2k-install-howto/
> 
> I managed the first four steps
> 
> In step 5 I renamed and edited the Linux-x86-64-g95.sopt file into
> foo.sopt. It now looks like:
> 
> CC       = cc
> CPP      =
> FC       = gfortran
> LD       = gfortran
> AR       = ar -r
> 
> DFLAGS   = -D__G95 -D__FFTSG -D__FFTW3 -D__LIBINT
> CPPFLAGS =
> FCFLAGS  = $(DFLAGS) -I$(G95_INC) -ffree-form -O2 -ffast-math -
> march=opteron -cpp -g
> LDFLAGS  = $(FCFLAGS)
> LIBS     = /usr/local/atlas/lib/liblapack.a \
>            /usr/local/atlas/lib/libf77blas.a \
>           /usr/local/atlas/lib/libcblas.a \
>            /usr/local/atlas/lib/libatlas.a \
>            $/usr/local/lib/libfftw3.a \
>            -lstdc++ -lpthread
> 
> OBJECTS_ARCHITECTURE = machine_g95.o
> 
> Then I run make ARCH=foo VERSION=sopt and get the following output:
> 
> tobias at brutus:~/cp2k-2_2-branch/cp2k/makefiles$ make ARCH=foo
> VERSION=sopt
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make LDFLAGS= -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/
> foo/tools -f /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/
> Makefile makedepf90
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools'
> test -d /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/tools/
> makedepf90-build || cp -r /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../tools/makedepf90 makedepf90-build
> { cd makedepf90-build ; ./configure --prefix=/home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../obj/foo/tools --bindir=/home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../obj/foo/tools ; make VERSION="2.8.8cp2k" ;
> make install ; }
> checking for gcc... gcc
> checking for C compiler default output file name... a.out
> checking whether the C compiler works... yes
> checking whether we are cross compiling... no
> checking for suffix of executables...
> checking for suffix of object files... o
> checking whether we are using the GNU C compiler... yes
> checking whether gcc accepts -g... yes
> checking for gcc option to accept ANSI C... none needed
> checking for flex... flex
> checking for yywrap in -lfl... yes
> checking lex output file root... lex.yy
> checking whether yytext is a pointer... yes
> checking for bison... bison -y
> checking for a BSD-compatible install... /usr/bin/install -c
> checking how to run the C preprocessor... gcc -E
> checking for egrep... grep -E
> checking for working alloca.h... yes
> checking for alloca... yes
> checking for strcasecmp... yes
> configure: creating ./config.status
> config.status: creating Makefile
> config.status: creating config.h
> config.status: config.h is unchanged
> make[2]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools/makedepf90-build'
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" errormesg.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" list.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" macro.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" main.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" modfile_name.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" utils.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" xmalloc.c
> bison -y  find_dep.y
> mv -f y.tab.c find_dep.c
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" find_dep.c
> flex -i -B  -t lexer.l > lexer.c
> lexer.l:143: warning, rule cannot be matched
> gcc -c -g -O2 -DVERSION=\"2.8.8cp2k\" lexer.c
> gcc -o makedepf90 -DVERSION=\"2.8.8cp2k\" -g -O2 errormesg.o list.o
> macro.o main.o modfile_name.o utils.o xmalloc.o find_dep.o lexer.o
> make[2]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools/makedepf90-build'
> make[2]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools/makedepf90-build'
> /usr/bin/install -c -d /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> obj/foo/tools
> /usr/bin/install -c makedepf90 /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../obj/foo/tools
> /usr/bin/install -c -d /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> obj/foo/tools/man/man1
> /usr/bin/install -c -m 644 makedepf90.1 /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../obj/foo/tools/man/man1
> make[2]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools/makedepf90-build'
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> tools'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src -f /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile all.dep
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/src'
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/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_ma_interface.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 qs_linres_epr_ownutils.F
> qs_linres_epr_utils.F qs_linres_issc_utils.F qs_linres_methods.F
> qs_linres_module.F qs_linres_nmr_epr_common_utils.F
> qs_linres_nmr_shift.F qs_linres_nmr_utils.F qs_linres_op.F
> qs_linres_types.F qs_loc_control.F qs_loc_methods.F qs_loc_molecules.F
> qs_loc_types.F qs_loc_utils.F qs_local_rho_types.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_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_ot_types.F qs_outer_scf.F
> qs_overlap.F qs_p_env_methods.F qs_p_env_types.F qs_p_sparse_psi.F
> qs_pdos.F qs_period_efield_types.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_block_davidson.F qs_scf_diagonalization.F qs_scf_lanczos.F
> qs_scf_methods.F qs_scf_post_gpw.F qs_scf_post_se.F qs_scf_types.F
> qs_spin_orbit.F qs_tddfpt_eigensolver.F qs_tddfpt_module.F
> qs_tddfpt_types.F qs_tddfpt_utils.F qs_util.F qs_vxc.F qs_vxc_atom.F
> qs_wf_history_methods.F qs_wf_history_types.F realspace_grid_cube.F
> realspace_grid_types.F reference_manager.F reftraj_types.F
> reftraj_util.F rel_control_types.F replica_methods.F replica_types.F
> restraint.F ri_environment_types.F rmsd.F rt_make_propagators.F
> rtp_admm_methods.F rt_matrix_exp.F rt_propagation.F
> rt_propagation_methods.F rt_propagation_output.F
> rt_propagation_types.F rt_propagation_utils.F rt_propagator_init.F
> s_square_methods.F sap_kind_types.F scf_control_types.F
> scp_coeff_types.F scp_density_methods.F scp_diis_utils.F
> scp_dispersion.F scp_energy.F scp_energy_types.F scp_environment.F
> scp_environment_methods.F scp_environment_types.F scp_force_types.F
> scp_hartree_1center.F scp_nddo_utils.F scp_restarts.F
> scp_rho_methods.F scp_rho_types.F scp_rspw_methods.F scp_rspw_types.F
> se_core_core.F se_core_matrix.F se_fock_matrix.F
> se_fock_matrix_coulomb.F se_fock_matrix_dbg.F
> se_fock_matrix_exchange.F se_fock_matrix_integrals.F
> semi_empirical_expns3_methods.F semi_empirical_expns3_types.F
> semi_empirical_int3_utils.F semi_empirical_int_ana.F
> semi_empirical_int_arrays.F semi_empirical_int_debug.F
> semi_empirical_int_gks.F semi_empirical_int_num.F
> semi_empirical_int_utils.F semi_empirical_integrals.F
> semi_empirical_mpole_methods.F semi_empirical_mpole_types.F
> semi_empirical_par_utils.F semi_empirical_parameters.F
> semi_empirical_store_int_types.F semi_empirical_types.F
> semi_empirical_utils.F shell_opt.F shell_potential_types.F
> simpar_methods.F simpar_types.F soft_basis_set.F spherical_harmonics.F
> splines_methods.F splines_types.F spme.F statistical_methods.F
> stm_images.F sto_ng.F string_table.F string_utilities.F
> structure_factor_types.F structure_factors.F subcell_types.F t_c_g0.F
> tamc_run.F taper_types.F task_list_methods.F task_list_types.F
> termination.F thermal_region_types.F thermal_region_utils.F
> thermostat_mapping.F thermostat_methods.F thermostat_types.F
> thermostat_utils.F timings.F timings_mp.F topology.F topology_amber.F
> topology_cif.F topology_connectivity_util.F topology_constraint_util.F
> topology_coordinate_util.F topology_cp2k.F topology_generate_util.F
> topology_gromos.F topology_input.F topology_multiple_unit_cell.F
> topology_pdb.F topology_psf.F topology_types.F topology_util.F
> topology_xtl.F topology_xyz.F util.F velocity_verlet_control.F
> vibrational_analysis.F virial_methods.F virial_types.F
> wannier_states_types.F wannier_states.F whittaker.F wiener_process.F
> xas_control.F xas_env_types.F xas_methods.F xas_restart.F xas_tp_scf.F
> xc.F xc_adiabatic_methods.F xc_adiabatic_utils.F xc_atom.F xc_b97.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_lyp_adiabatic.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_xbecke88_lr_adiabatic.F xc_xbecke_roussel.F
> xc_xbr_pbe_lda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F
> xc_xpbe_hole_t_c_lr.F xc_xwpbe.F xray_diffraction.F machine_g95.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/lib/fast.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/lib/grid_fast.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/lib/lib_kinds.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/ctrig.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/fft_kinds.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/fft_lib.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/fft_plan.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/fftacml_lib.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/fftcu_lib.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib/
> fftessl_lib.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> fft_lib/fftmkl_lib.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/fft_lib/fftpre.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/fft_lib/fftrot.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/fft_lib/fftsci_lib.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/fft_lib/fftsg_lib.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/fft_lib/fftstp.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/fft_lib/fftw2_lib.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/fft_lib/fftw3_lib.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/fft_lib/mltfftsg_tools.F /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../src/fft_lib/mltfftsg.F /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../src/arch_lib/machine_architecture_types.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/
> machine_architecture_utils.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/arch_lib/machine_architecture.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/arch_lib/ma_c_mpi_calls.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/ma_dummy_c_bindings.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/
> ma_config.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> arch_lib/ma_kinds.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> arch_lib/ma_machine.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/arch_lib/ma_message_passing.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/array_types.F /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../src/dbcsr_lib/btree_i8_k_sp2d_v.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/btree_i8_k_dp2d_v.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> btree_i8_k_cp2d_v.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/btree_i8_k_zp2d_v.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_blas_operations.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_block_access.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_block_buffers.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/dbcsr_lib/dbcsr_block_operations.F /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../src/dbcsr_lib/dbcsr_c_mpi_calls.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_config.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_cuda_device.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/dbcsr_cuda_memory.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_cuda_methods.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_cuda_operations.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_cuda_types.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/dbcsr_data_methods.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_data_operations.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_dist_operations.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/dbcsr_lib/dbcsr_error_handling.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_example_1.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_example_2.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_example_3.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_index_operations.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_internal_operations.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_io.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_iterator_operations.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_kinds.F /home/tobias/cp2k-2_2-branch/
> cp2k/makefiles/../src/dbcsr_lib/dbcsr_machine.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_message_passing.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_methods.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/dbcsr_mp_operations.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_plasma_interface.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_pq_methods.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_pq_types.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/dbcsr_test_add.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_test_methods.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_test_multiply.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_test_driver.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> dbcsr_lib/dbcsr_types.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/dbcsr_lib/dbcsr_operations.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_performance_driver.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_performance_multiply.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dbcsr_ptr_util.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/dbcsr_transformations.F /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/
> dbcsr_work_operations.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/dbcsr_lib/dbcsr_util.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/dbcsr_lib/dummy_c_bindings.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/dbcsr_lib/min_heap.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib/smm.F cp_common_uses.h
> cp2k.F cp2k_shell.F > /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> obj/foo/sopt/all.dep || ( rm -f /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../obj/foo/sopt/all.dep  ; exit 1 )
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/src'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/lib -f /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile
> lib.dep
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> lib'
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/tools/
> makedepf90 -m "%m.mod"  -free fast.F grid_fast.F lib_kinds.F > /home/
> tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/sopt/lib.dep || ( rm -
> f /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/sopt/
> lib.dep ; exit 1 )
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/src/lib'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/dbcsr_lib -
> f /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile
> dbcsr.dep
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> dbcsr_lib'
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/tools/
> makedepf90 -m "%m.mod"  -free array_types.F btree_i8_k_sp2d_v.F
> btree_i8_k_dp2d_v.F btree_i8_k_cp2d_v.F btree_i8_k_zp2d_v.F
> dbcsr_blas_operations.F dbcsr_block_access.F dbcsr_block_buffers.F
> dbcsr_block_operations.F dbcsr_c_mpi_calls.F dbcsr_config.F
> dbcsr_cuda_device.F dbcsr_cuda_memory.F dbcsr_cuda_methods.F
> dbcsr_cuda_operations.F dbcsr_cuda_types.F dbcsr_data_methods.F
> dbcsr_data_operations.F dbcsr_dist_operations.F dbcsr_error_handling.F
> dbcsr_example_1.F dbcsr_example_2.F dbcsr_example_3.F
> dbcsr_index_operations.F dbcsr_internal_operations.F dbcsr_io.F
> dbcsr_iterator_operations.F dbcsr_kinds.F dbcsr_machine.F
> dbcsr_message_passing.F dbcsr_methods.F dbcsr_mp_operations.F
> dbcsr_plasma_interface.F dbcsr_pq_methods.F dbcsr_pq_types.F
> dbcsr_test_add.F dbcsr_test_methods.F dbcsr_test_multiply.F
> dbcsr_test_driver.F dbcsr_types.F dbcsr_operations.F
> dbcsr_performance_driver.F dbcsr_performance_multiply.F
> dbcsr_ptr_util.F dbcsr_transformations.F dbcsr_work_operations.F
> dbcsr_util.F dummy_c_bindings.F min_heap.F smm.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/arch_lib/machine_architecture_types.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/
> machine_architecture_utils.F /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../src/arch_lib/machine_architecture.F /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../src/arch_lib/ma_c_mpi_calls.F /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/ma_dummy_c_bindings.F /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib/
> ma_config.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> arch_lib/ma_kinds.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> arch_lib/ma_machine.F /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> src/arch_lib/ma_message_passing.F > /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../obj/foo/sopt/dbcsr.dep || ( rm -f /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../obj/foo/sopt/dbcsr.dep ; exit 1 )
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> dbcsr_lib'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/fft_lib -f /
> home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile
> fft.dep
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> fft_lib'
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/tools/
> makedepf90 -m "%m.mod"  -free ctrig.F fft_kinds.F fft_lib.F fft_plan.F
> fftacml_lib.F fftcu_lib.F fftessl_lib.F fftmkl_lib.F fftpre.F fftrot.F
> fftsci_lib.F fftsg_lib.F fftstp.F fftw2_lib.F fftw3_lib.F
> mltfftsg_tools.F mltfftsg.F > /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../obj/foo/sopt/fft.dep || ( rm -f /home/tobias/cp2k-2_2-
> branch/cp2k/makefiles/../obj/foo/sopt/fft.dep ; exit 1 )
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> fft_lib'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/arch_lib -
> f /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile
> ma.dep
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> arch_lib'
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/tools/
> makedepf90 -m "%m.mod"  -free machine_architecture_types.F
> machine_architecture_utils.F machine_architecture.F ma_c_mpi_calls.F
> ma_dummy_c_bindings.F ma_config.F ma_kinds.F ma_machine.F
> ma_message_passing.F > /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../
> obj/foo/sopt/ma.dep || ( rm -f /home/tobias/cp2k-2_2-branch/cp2k/
> makefiles/../obj/foo/sopt/ma.dep ; exit 1 )
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/src/
> arch_lib'
> make -C /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../obj/foo/sopt -
> f /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../makefiles/Makefile
> _progr
> tail: cannot open `/home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/
> CVS/Entries' for reading: No such file or directory
> make[1]: Entering directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> sopt'
> gfortran -c -D__G95 -D__FFTSG -D__FFTW3 -D__LIBINT -I -ffree-form -O2 -
> ffast-math -march=opteron -cpp -g -D__COMPILE_ARCH="\"foo\"" -
> D__COMPILE_DATE="\"Mon Mar 26 19:43:50 CEST 2012\"" -
> D__COMPILE_HOST="\"brutus\"" -D__COMPILE_LASTCVS="\"\"" /home/tobias/
> cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 2.1:
> 
> MODULE
> f77_blas_poison
>  1
> Error: Non-numeric character in statement label at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 2.1:
> 
> MODULE
> f77_blas_poison
>  1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 17.1:
> 
> PRIVATE
>  1
> Error: Non-numeric character in statement label at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 17.1:
> 
> PRIVATE
>  1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 19.1:
> 
> PUBLIC :: SROTG,  DROTG, CROTG,  ZROTG, SROTMG, DROTMG, SROT,   DROT,
> &
>  1
> Error: Non-numeric character in statement label at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 19.1:
> 
> PUBLIC :: SROTG,  DROTG, CROTG,  ZROTG, SROTMG, DROTMG, SROT,   DROT,
> &
>  1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 20.10:
> 
>           ZROT,   CSROT, ZDROT,  SROTM, DROTM,  SSWAP,  DSWAP,  CSWAP,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 21.10:
> 
>           ZSWAP,  SSCAL, DSCAL,  CSCAL, ZSCAL,  CSSCAL, ZDSCAL, SCOPY,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 22.10:
> 
>           DCOPY,  CCOPY, ZCOPY,  SAXPY, DAXPY,  CAXPY,  ZAXPY,  SDOT,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 23.10:
> 
>           DDOT,   CDOTU, ZDOTU,  CDOTC, ZDOTC,  SNRM2,  DNRM2,
> SCNRM2,&
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 24.10:
> 
>           DZNRM2, SASUM, SCASUM, DASUM, DZASUM, ISAMAX, IDAMAX,
> ICAMAX,&
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 25.10:
> 
>  
> IZAMAX
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 27.1:
> 
> PUBLIC :: SGEMV, DGEMV, CGEMV, ZGEMV, SGBMV, DGBMV, CGBMV, ZGBMV,
> &
>  1
> Error: Non-numeric character in statement label at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 27.1:
> 
> PUBLIC :: SGEMV, DGEMV, CGEMV, ZGEMV, SGBMV, DGBMV, CGBMV, ZGBMV,
> &
>  1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 28.10:
> 
>           CHEMV, ZHEMV, CHBMV, ZHBMV, CHPMV, ZHPMV, SSYMV, DSYMV,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 29.10:
> 
>           SSBMV, DSBMV, SSPMV, DSPMV, STRMV, DTRMV, CTRMV, ZTRMV,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 30.10:
> 
>           STBMV, DTBMV, CTBMV, ZTBMV, STPMV, DTPMV, CTPMV, ZTPMV,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 31.10:
> 
>           STRSV, DTRSV, CTRSV, ZTRSV, STBSV, DTBSV, CTBSV, ZTBSV,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 32.10:
> 
>           STPSV, DTPSV, CTPSV, ZTPSV, SGER,  DGER,  CGERU, ZGERU,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 33.10:
> 
>           CGERC, ZGERC, CHER,  ZHER,  CHPR,  ZHPR,  CHER2, ZHER2,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 34.10:
> 
>           CHPR2, ZHPR2, SSYR,  DSYR,  SSPR,  DSPR,  SSYR2, DSYR2,
> &
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 35.10:
> 
>           SSPR2,
> DSPR2
>           1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 37.1:
> 
> PUBLIC :: SGEMM,  DGEMM,  CGEMM,  ZGEMM,  SSYMM,  DSYMM,  CSYMM,
> ZSYMM,
>  1
> Error: Non-numeric character in statement label at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 37.1:
> 
> PUBLIC :: SGEMM,  DGEMM,  CGEMM,  ZGEMM,  SSYMM,  DSYMM,  CSYMM,
> ZSYMM,
>  1
> Error: Unclassifiable statement at (1)
> /home/tobias/cp2k-2_2-branch/cp2k/makefiles/../src/f77_blas_poison.F:
> 38.10:
> 
>           CHEMM,  ZHEMM,  SSYRK,  DSYRK,  CSYRK,  ZSYRK,  CHERK,
> ZHERK,
>           1
> Error: Unclassifiable statement at (1)
> Fatal Error: Error count reached limit of 25.
> make[1]: *** [f77_blas_poison.o] Error 1
> make[1]: Leaving directory `/home/tobias/cp2k-2_2-branch/cp2k/obj/foo/
> sopt'
> make: *** [build] Error 2
> 
> Any help is appreciated :)
> 
> Many thanks in advance.
>