StartDate: 2019-02-17 19:07:20+00:00

========== Fetching Git Commit ==========
From https://github.com/cp2k/cp2k
 * branch            master     -> FETCH_HEAD
HEAD is now at badbcfe conventions: suppress __FAST_MATH__,... warnings

CommitSHA: badbcfe0ef7b714638fa6c2c2828efcb91b0d6a4
CommitTime: 2019-02-17 14:55:47 +0100
CommitAuthor: Tiziano Müller
CommitSubject: conventions: suppress __FAST_MATH__,... warnings


========== Updating Toolchain ==========
sending incremental file list
.gitignore
Dockerfile
README_FOR_DEVELOPERS.md
README_FOR_USERS.md

sent 12,239 bytes  received 94 bytes  24,666.00 bytes/sec
total size is 242,979  speedup is 19.70
MPI is detected and it appears to be MPICH
nvcc not found, disabling CUDA by default
You have chosen to install GCC, therefore MPI libraries will have to be installed too
Compiling with 16 processes.
==================== Installing binutils ====================
binutils-2.31.1 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing Lcov ====================
lcov-94eac0ee870e58630d8052dca1181b0cf802525f is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing Valgrind ====================
valgrind-3.14.0 is already installed, skipping it.
Step took 0.00 seconds.
Step took 0.00 seconds.
==================== Installing CMake ====================
cmake-3.13.3 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing GCC ====================
gcc-8.2.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Getting proc arch info using OpenBLAS tools ====================
OpenBLAS-0.3.5.tar.gz: OK
Checksum of OpenBLAS-0.3.5.tar.gz Ok
OpenBLAS detected LIBCORE = haswell
OpenBLAS detected ARCH    = x86_64
==================== Installing MPICH ====================
mpich-3.2.1 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing LAPACK ====================
lapack-3.8.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing OpenBLAS ====================
openblas-0.3.5 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing FFTW ====================
fftw-3.3.8 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing LIBINT ====================
libint-1.1.6 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing LIBXC ====================
libxc-4.3.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing libsmm ====================
libsmm is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing Libxsmm ====================
libxsmm-1.10.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing ScaLAPACK ====================
scalapack-2.0.2 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing ELPA ====================
elpa-2017.05.003 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing PT-Scotch ====================
scotch-6.0.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing ParMETIS ====================
parmetis-4.0.3 is already installed, skipping it.
Step took 1.00 seconds.
==================== Installing METIS ====================
METIS is installed together with ParMETIS
Step took 0.00 seconds.
==================== Installing SuperLU_DIST ====================
superlu_dist-5.1.2 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing PEXSI ====================
pexsi_dist-0.10.2 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing QUIP ====================
quip_dist-cc83ceea5776c40fcb5ab224a25ab04d62175449 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing gsl ====================
gsl-2.5 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing spglib ====================
spglib-1.12.1 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing hdf5 ====================
hdf5-1.10.4 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing SIRIUS ====================
sirius_dist-6.0.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== Installing json_fortran ====================
json-fortran-7.0.0 is already installed, skipping it.
Step took 0.00 seconds.
==================== generating arch files ====================
arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory
Wrote /opt/cp2k-toolchain/install/arch/local.sopt
Wrote /opt/cp2k-toolchain/install/arch/local.sdbg
Wrote /opt/cp2k-toolchain/install/arch/local.ssmp
Wrote /opt/cp2k-toolchain/install/arch/local.popt
Wrote /opt/cp2k-toolchain/install/arch/local.pdbg
Wrote /opt/cp2k-toolchain/install/arch/local.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_warn.psmp
Wrote /opt/cp2k-toolchain/install/arch/local_valgrind.sopt
Wrote /opt/cp2k-toolchain/install/arch/local_valgrind.popt
Wrote /opt/cp2k-toolchain/install/arch/local_coverage.sdbg
Wrote /opt/cp2k-toolchain/install/arch/local_coverage.pdbg
========================== usage =========================
Done!
Now copy:
  cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory
To use the installed tools and libraries and cp2k version
compiled with it you will first need to execute at the prompt:
  source /opt/cp2k-toolchain/install/setup
To build CP2K you should change directory:
  cd cp2k/
  make -j 16 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"

arch files for GPU enabled CUDA versions are named "local_cuda.*"
arch files for valgrind versions are named "local_valgrind.*"
arch files for coverage versions are named "local_coverage.*"

========== Running Test ==========

========== Running Conventions Test ==========
Date: 2019-02-17 19:07:27+00:00
Discovering programs ...
Discovering programs ...
Data file BASIS_SET copied to tests/QMMM/QS (suppressed)
Data file GTH_BASIS_SETS copied to tests/QMMM/QS (suppressed)
Data file MM_POTENTIAL copied to tests/QMMM/QS (suppressed)
Data file POTENTIAL copied to tests/QMMM/QS (suppressed)
Flag FD_DEBUG not mentioned in INSTALL.md (suppressed)
Flag FD_DEBUG not mentioned in cp2k_flags() (suppressed)
Flag INTEL_MKL_VERSION not mentioned in INSTALL.md (suppressed)
Flag INTEL_MKL_VERSION not mentioned in cp2k_flags() (suppressed)
Flag XC_MAJOR_VERSION not mentioned in INSTALL.md (suppressed)
Flag XC_MAJOR_VERSION not mentioned in cp2k_flags() (suppressed)
Flag __CRAY_PM_FAKE_ENERGY not mentioned in INSTALL.md (suppressed)
Flag __DATA_DIR not mentioned in cp2k_flags() (suppressed)
Flag __FAST_MATH__ not mentioned in INSTALL.md (suppressed)
Flag __FAST_MATH__ not mentioned in cp2k_flags() (suppressed)
Flag __FFTW3_UNALIGNED not mentioned in cp2k_flags() (suppressed)
Flag __FORCE_USE_FAST_MATH not mentioned in INSTALL.md (suppressed)
Flag __FORCE_USE_FAST_MATH not mentioned in cp2k_flags() (suppressed)
Flag __GRID_CORE not mentioned in cp2k_flags() (suppressed)
Flag __HAS_smm_cnt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_ctn not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_ctt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_dnt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_dtn not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_dtt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_snt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_stn not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_stt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_znt not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_ztn not mentioned in INSTALL.md (suppressed)
Flag __HAS_smm_ztt not mentioned in INSTALL.md (suppressed)
Flag __PILAENV_BLOCKSIZE not mentioned in cp2k_flags() (suppressed)
Flag __PW_CUDA_NO_HOSTALLOC not mentioned in INSTALL.md (suppressed)
Flag __RELEASE_VERSION not mentioned in INSTALL.md (suppressed)
Flag __RELEASE_VERSION not mentioned in cp2k_flags() (suppressed)
Flag __SCALAPACK2 not mentioned in INSTALL.md (suppressed)
al_system_dynamics.F: Found WRITE statement with hardcoded unit in "dump_vel" (suppressed)
almo_scf.F: Found WRITE statement with hardcoded unit in "almo_scf_init" (suppressed)
almo_scf_optimizer.F: Found CLOSE statement in procedure "print_mathematica_matrix" (suppressed)
almo_scf_optimizer.F: Found OPEN statement in procedure "print_mathematica_matrix" (suppressed)
base_hooks.F: Found CALL m_abort in procedure "cp_abort" (suppressed)
base_hooks.F: Found STOP statement in procedure "cp__a" (suppressed)
base_hooks.F: Found STOP statement in procedure "cp__b" (suppressed)
base_hooks.F: Found STOP statement in procedure "cp_abort" (suppressed)
base_hooks.F: Found WRITE statement with hardcoded unit in "cp_abort" (suppressed)
base_hooks.F: Found WRITE statement with hardcoded unit in "cp_warn" (suppressed)
beta_gamma_psi.F: Found GOTO statement in procedure "bratio" (suppressed)
bfgs_optimizer.F: Found GOTO statement in procedure "rat_fun_opt" (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_0 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_1 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_2 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_3 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_4 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_5 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_6 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_7 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_8 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_9 called with an implicit interface. (suppressed)
call_collocate.f90: Routine COLLOCATE_CORE_DEFAULT called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_0 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_1 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_2 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_3 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_4 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_5 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_6 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_7 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_8 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_9 called with an implicit interface. (suppressed)
call_collocate_omp.f90: Routine COLLOCATE_CORE_DEFAULT called with an implicit interface. (suppressed)
cg_test.F: Found WRITE statement with hardcoded unit in "clebsch_gordon_test" (suppressed)
cp2k_shell.F: Found GOTO statement in procedure "cp2k_shell" (suppressed)
cp2k_shell.F: Found OPEN statement in procedure "get_eof_stat" (suppressed)
cp2k_shell.F: Found READ with unchecked STAT in "cp2k_shell" (suppressed)
cp_dbcsr_cholesky.F: Routine PDCOPY called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PDPOTRF called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PDPOTRI called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PDTRMM called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PDTRSM called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PSCOPY called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PSPOTRF called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PSPOTRI called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PSTRMM called with an implicit interface. (suppressed)
cp_dbcsr_cholesky.F: Routine PSTRSM called with an implicit interface. (suppressed)
cp_dbcsr_operations.F: Found CALL cp_fm_gemm in procedure "cp_dbcsr_plus_fm_fm_t" (suppressed)
cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "cp_dbcsr_plus_fm_fm_t" (suppressed)
cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "create_bl_distribution" (suppressed)
cp_dbcsr_operations.F: Found WRITE statement with hardcoded unit in "dbcsr_create_dist_block_cyclic" (suppressed)
cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_charge" (suppressed)
cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_a_matrix" (suppressed)
cp_ddapc_util.F: Found WRITE statement with hardcoded unit in "debug_der_b_vector" (suppressed)
cp_error_handling.F: Found CALL mp_abort in procedure "cp_abort_handler" (suppressed)
cp_files.F: Found CLOSE statement in procedure "close_file" (suppressed)
cp_files.F: Found OPEN statement in procedure "open_file" (suppressed)
cp_fm_basic_linalg.F: Found CALL cp_fm_gemm in procedure "cp_complex_fm_gemm" (suppressed)
cp_fm_diag.F: Found CALL cp_fm_gemm in procedure "cp_fm_geeig_canon" (suppressed)
cp_gemm_interface.F: Found CALL cp_fm_gemm in procedure "cp_gemm" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "active" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "cauchy" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "freev" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "lnsrlb" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "mainlb" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn1lb" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn2lb" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "prn3lb" (suppressed)
cp_lbfgs.F: Found WRITE statement with hardcoded unit in "subsm" (suppressed)
cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_int_to_string" (suppressed)
cp_log_handling.F: Found WRITE statement with hardcoded unit in "cp_logger_get_default_unit_nr" (suppressed)
cp_parser_inpp_methods.F: Found READ with unchecked STAT in "inpp_process_directive" (suppressed)
cube_utils.F: Found WRITE statement with hardcoded unit in "return_cube_nonortho" (suppressed)
d3_poly.F: Found CALL RANDOM_NUMBER in procedure "poly_random" (suppressed)
dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral" (suppressed)
dkh_main.F: Found WRITE statement with hardcoded unit in "kintegral_a" (suppressed)
domain_submatrix_methods.F: Found WRITE statement with hardcoded unit in "print_submatrices" (suppressed)
eip_silicon.F: Found OPEN statement in procedure "eip_bazant_silicon" (suppressed)
eip_silicon.F: Found OPEN statement in procedure "eip_lenosky_silicon" (suppressed)
eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_bazant_silicon" (suppressed)
eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_lenosky_silicon" (suppressed)
eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_b" (suppressed)
eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_l" (suppressed)
et_coupling_proj.F: Routine INFOG2L called with an implicit interface. (suppressed)
extended_system_init.F: Found WRITE statement with hardcoded unit in "init_barostat_variables" (suppressed)
farming_methods.F: Found CLOSE statement in procedure "farming_parse_input" (suppressed)
farming_methods.F: Found OPEN statement in procedure "farming_parse_input" (suppressed)
fparser.F: Copyright banner malformed (suppressed)
fparser.F: Found WRITE statement with hardcoded unit in "parseerrmsg" (suppressed)
free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc" (suppressed)
free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_norm_sc_low" (suppressed)
free_energy_methods.F: Found WRITE statement with hardcoded unit in "ui_check_trend" (suppressed)
glbopt_history.F: Found WRITE statement with hardcoded unit in "verify_history_lookup" (suppressed)
glbopt_mincrawl.F: Found WRITE statement with hardcoded unit in "print_tempdist" (suppressed)
glob_matching.F: Copyright banner malformed (suppressed)
gopt_f77_methods.h: Copyright banner malformed (suppressed)
graph.F: Copyright banner malformed (suppressed)
graph.F: Found CALL RANDOM_SEED in procedure "graph" (suppressed)
graph.F: Found WRITE statement with hardcoded unit in "graph" (suppressed)
graph_methods.F: Copyright banner malformed (suppressed)
graph_methods.F: Found OPEN statement in procedure "fes_cube_write" (suppressed)
graph_methods.F: Found WRITE statement with hardcoded unit in "fes_cube_write" (suppressed)
graph_methods.F: Found WRITE statement with hardcoded unit in "fes_min" (suppressed)
graph_methods.F: Found WRITE statement with hardcoded unit in "fes_path" (suppressed)
graph_utils.F: Copyright banner malformed (suppressed)
graph_utils.F: Found WRITE statement with hardcoded unit in "get_val_res" (suppressed)
graphcon.F: Found GOTO statement in procedure "all_permutations" (suppressed)
graphcon.F: Found WRITE statement with hardcoded unit in "reorder_graph" (suppressed)
hfx_admm_utils.F: Found WRITE statement with hardcoded unit in "create_admm_xc_section" (suppressed)
hfx_compression_methods.F: Found READ with unchecked STAT in "hfx_decompress_cache" (suppressed)
hfx_energy_potential.F: Found WRITE statement with hardcoded unit in "print_integrals" (suppressed)
input_enumeration_types.F: Found WRITE statement with hardcoded unit in "enum_i2c" (suppressed)
input_parsing.F: Found WRITE statement with hardcoded unit in "section_vals_parse" (suppressed)
libcp2k.F: Found GOTO statement in procedure "cp2k_active_space_get_eri" (suppressed)
libcp2k.F: Found GOTO statement in procedure "cp2k_active_space_get_eri_nze_count" (suppressed)
libcp2k.F: Found GOTO statement in procedure "cp2k_active_space_get_fock_sub" (suppressed)
libcp2k.F: Found GOTO statement in procedure "cp2k_active_space_get_mo_count" (suppressed)
library_tests.F: Found CALL RANDOM_NUMBER in procedure "copy_test" (suppressed)
library_tests.F: Found CALL RANDOM_NUMBER in procedure "cp_fm_gemm_test" (suppressed)
library_tests.F: Found CALL RANDOM_NUMBER in procedure "fft_test" (suppressed)
library_tests.F: Found CALL RANDOM_NUMBER in procedure "rs_pw_transfer_test" (suppressed)
library_tests.F: Routine PILAENV called with an implicit interface. (suppressed)
machine.F: Found OPEN statement in procedure "m_cpuinfo" (suppressed)
machine_internal.F: Found CALL m_abort in procedure "m_getarg" (suppressed)
machine_internal.F: Found CALL m_abort in procedure "m_getcwd" (suppressed)
machine_internal.F: Found CALL m_abort in procedure "m_hostnm" (suppressed)
machine_internal.F: Found CALL m_abort in procedure "m_mov" (suppressed)
machine_internal.F: Found CLOSE statement in procedure "m_memory_details" (suppressed)
machine_internal.F: Found OPEN statement in procedure "m_memory" (suppressed)
machine_internal.F: Found OPEN statement in procedure "m_memory_details" (suppressed)
machine_internal.F: Found WRITE statement with hardcoded unit in "m_getarg" (suppressed)
machine_internal.F: Found WRITE statement with hardcoded unit in "m_getcwd" (suppressed)
machine_internal.F: Found WRITE statement with hardcoded unit in "m_hostnm" (suppressed)
machine_internal.F: Found WRITE statement with hardcoded unit in "m_mov" (suppressed)
mathlib.F: Found WRITE statement with hardcoded unit in "diag" (suppressed)
mc_coordinates.F: Found WRITE statement with hardcoded unit in "generate_cbmc_swap_config" (suppressed)
mc_move_control.F: Found WRITE statement with hardcoded unit in "mc_move_update" (suppressed)
message_passing.F: Found CALL m_abort in procedure "mp_abort" (suppressed)
message_passing.F: Found CLOSE statement in procedure "mp_file_close" (suppressed)
message_passing.F: Found OPEN statement in procedure "mp_file_open" (suppressed)
message_passing.F: Found STOP statement in procedure "mp_abort" (suppressed)
message_passing.F: USE statement at (1) has no ONLY qualifier [-Wuse-without-only] (suppressed)
mltfftsg_tools.F: Found WRITE statement with hardcoded unit in "ctrig" (suppressed)
mm_collocate_potential.F: Routine COLLOCATE_GF_NPBC called with an implicit interface. (suppressed)
mm_collocate_potential.F: Routine INTEGRATE_GF_NPBC called with an implicit interface. (suppressed)
mode_selective.F: Found READ with unchecked STAT in "bfgs_guess" (suppressed)
mp2_cphf.F: Found WRITE statement with hardcoded unit in "write_array" (suppressed)
mp2_ri_gpw.F: Found WRITE statement with hardcoded unit in "write_array" (suppressed)
mp2_ri_grad.F: Found WRITE statement with hardcoded unit in "create_w_p" (suppressed)
mp2_ri_grad.F: Found WRITE statement with hardcoded unit in "write_array" (suppressed)
mp2_ri_grad_util.F: Found WRITE statement with hardcoded unit in "complete_gamma" (suppressed)
mp2_ri_grad_util.F: Found WRITE statement with hardcoded unit in "write_array" (suppressed)
optimize_embedding_potential.F: Found FLOAT in "init_embed_pot" (suppressed)
powell.F: Found GOTO statement in procedure "newuob" (suppressed)
preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all" (suppressed)
preconditioner_makes.F: Found WRITE statement with hardcoded unit in "make_full_all_ortho" (suppressed)
ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "f_poissonsolver" (suppressed)
ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "p_poissonsolver" (suppressed)
ps_wavelet_base.F: Found WRITE statement with hardcoded unit in "s_poissonsolver" (suppressed)
ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "ctrig" (suppressed)
ps_wavelet_fft3d.F: Found WRITE statement with hardcoded unit in "fourier_dim" (suppressed)
ps_wavelet_kernel.F: Found WRITE statement with hardcoded unit in "indices" (suppressed)
ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "ftest" (suppressed)
ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "scaling_function" (suppressed)
ps_wavelet_scaling_function.F: Found WRITE statement with hardcoded unit in "wavelet_function" (suppressed)
ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "p_fft_dimensions" (suppressed)
ps_wavelet_util.F: Found WRITE statement with hardcoded unit in "s_fft_dimensions" (suppressed)
pw_grids.F: Found WRITE statement with hardcoded unit in "pw_grid_sort" (suppressed)
qs_external_density.F: Found WRITE statement with hardcoded unit in "external_read_density" (suppressed)
qs_fb_env_methods.F: Found CALL cp_fm_gemm in procedure "fb_env_do_diag" (suppressed)
qs_fb_filter_matrix_methods.F: Found WRITE statement with hardcoded unit in "fb_fltrmat_build_atomic_fltrmat" (suppressed)
qs_gspace_mixing.F: Found WRITE statement with hardcoded unit in "broyden_mixing_new" (suppressed)
qs_gspace_mixing.F: Found WRITE statement with hardcoded unit in "multisecant_mixing" (suppressed)
qs_initial_guess.F: Found WRITE statement with hardcoded unit in "calculate_first_density_matrix" (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_0 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_1 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_2 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_3 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_4 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_5 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_6 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_7 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_8 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_9 called with an implicit interface. (suppressed)
qs_integrate_potential_low.F: Routine INTEGRATE_CORE_DEFAULT called with an implicit interface. (suppressed)
qs_ks_methods.F: Found WRITE statement with hardcoded unit in "calculate_w_matrix_ot" (suppressed)
qs_linres_atom_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_atom_rad" (suppressed)
qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms" (suppressed)
qs_linres_current.F: Found WRITE statement with hardcoded unit in "box_atoms_new" (suppressed)
qs_linres_current.F: Found WRITE statement with hardcoded unit in "calculate_jrho_resp" (suppressed)
qs_linres_current.F: Found WRITE statement with hardcoded unit in "collocate_gauge_new" (suppressed)
qs_linres_issc_utils.F: Found WRITE statement with hardcoded unit in "issc_issc" (suppressed)
qs_linres_op.F: Routine INDXL2G called with an implicit interface. (suppressed)
qs_loc_utils.F: Routine PZROT called with an implicit interface. (suppressed)
qs_localization_methods.F: Routine PZROT called with an implicit interface. (suppressed)
qs_ot.F: Found WRITE statement with hardcoded unit in "qs_ot_generate_rotation" (suppressed)
qs_rho_atom_methods.F: Found WRITE statement with hardcoded unit in "init_rho_atom" (suppressed)
se_core_matrix.F: Found WRITE statement with hardcoded unit in "aa" (suppressed)
se_core_matrix.F: Found WRITE statement with hardcoded unit in "makeds" (suppressed)
se_core_matrix.F: Found WRITE statement with hardcoded unit in "makes" (suppressed)
se_fock_matrix_coulomb.F: Found WRITE statement with hardcoded unit in "build_fock_matrix_coulomb_lr" (suppressed)
se_fock_matrix_dbg.F: Found WRITE statement with hardcoded unit in "dbg_energy_coulomb_lr" (suppressed)
semi_empirical_int3_utils.F: Routine EVAL called with an implicit interface. (suppressed)
semi_empirical_int_args.h: Copyright banner malformed (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcore_nucint_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dcorecore_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_drotnuc_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dssss_nucint_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_dterep_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotint_ana" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_rotmat_der" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "check_value" (suppressed)
semi_empirical_int_debug.F: Found WRITE statement with hardcoded unit in "rot_2el_2c_first_debug" (suppressed)
semi_empirical_int_debug.F: Routine CHECK_VALUE called with an implicit interface. (suppressed)
semi_empirical_int_debug.h: Copyright banner malformed (suppressed)
semi_empirical_int_utils.F: Routine EVAL called with an implicit interface. (suppressed)
semi_empirical_mpole_methods.F: Found WRITE statement with hardcoded unit in "semi_empirical_mpole_p_setup" (suppressed)
sockets.c: Copyright banner malformed (suppressed)
spherical_harmonics.F: Found WRITE statement with hardcoded unit in "cgc" (suppressed)
spherical_harmonics.F: Found WRITE statement with hardcoded unit in "get_factor" (suppressed)
statistical_methods.F: Found WRITE statement with hardcoded unit in "tests" (suppressed)
swarm_mpi.F: Found CLOSE statement in procedure "logger_init_master" (suppressed)
swarm_mpi.F: Found OPEN statement in procedure "logger_finalize" (suppressed)
t_c_g0.F: Copyright banner malformed (suppressed)
t_sh_p_s_c.F: Copyright banner malformed (suppressed)
task_list_methods.F: Found WRITE statement with hardcoded unit in "generate_qs_task_list" (suppressed)
timings.F: Found WRITE statement with hardcoded unit in "timestop_handler" (suppressed)
tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_average_displacement" (suppressed)
tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_dipole_moment" (suppressed)
tmc_analysis.F: Found WRITE statement with hardcoded unit in "print_paircorrelation" (suppressed)
tmc_cancelation.F: Found WRITE statement with hardcoded unit in "add_to_canceling_list" (suppressed)
tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_dot_color" (suppressed)
tmc_dot_tree.F: Found WRITE statement with hardcoded unit in "create_global_tree_dot_color" (suppressed)
tmc_messages.F: Found WRITE statement with hardcoded unit in "read_energy_result_message" (suppressed)
tmc_messages.F: Found WRITE statement with hardcoded unit in "tmc_message" (suppressed)
topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lcolv" (suppressed)
topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg3x3" (suppressed)
topology_constraint_util.F: Found WRITE statement with hardcoded unit in "setup_lg4x6" (suppressed)
topology_coordinate_util.F: Found WRITE statement with hardcoded unit in "topology_coordinate_pack" (suppressed)
topology_generate_util.F: Found WRITE statement with hardcoded unit in "generate_molname_low" (suppressed)
topology_generate_util.F: Found WRITE statement with hardcoded unit in "topology_generate_molecule" (suppressed)
topology_gromos.F: Found READ with unchecked STAT in "read_topology_gromos" (suppressed)
topology_pdb.F: Found READ with unchecked STAT in "read_coordinate_pdb" (suppressed)
xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_debug" (suppressed)
xc.F: Found CLOSE statement in procedure "xc_vxc_pw_create_test_lsd" (suppressed)
xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_debug" (suppressed)
xc.F: Found OPEN statement in procedure "xc_vxc_pw_create_test_lsd" (suppressed)
xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_debug" (suppressed)
xc.F: Found WRITE statement with hardcoded unit in "xc_vxc_pw_create_test_lsd" (suppressed)
xml_parser.F: Copyright banner malformed (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_put_element_" (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_details_int_" (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_details_string_" (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_extern_" (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_int_" (suppressed)
xml_parser.F: Found WRITE statement with hardcoded unit in "xml_report_errors_string_" (suppressed)
There are 94 unused suppressions.


Plot: name="supps", title="Suppressed Convention Violations", ylabel="# suppressions"
PlotPoint: name="coding", plot="supps", label="Coding Conventions", y=292, yerr=0
Summary: Found 0 issues (292 suppressed)
Status: OK
EndDate: 2019-02-17 19:08:42+00:00