StartDate: 2021-04-14 20:11:34+00:00 CpuId: 64x Intel Xeon W 2000 / Scalable Bronze 3000 / Silver 4000 / Gold 5000 / 6000 / Platinum 8000 (Skylake), 14nm CommitSHA: a4ef93f7c8701ae244cb81dac5716d9a0d319435 CommitTime: 2021-04-14 13:22:20 +0200 CommitAuthor: Juerg Hutter CommitSubject: Fix some recent issues (#1469) Trying to pull image cp2k-toolchain-mpich... success :-) Trying to pull image cp2k-perf-openmp... success :-) #################### Running Image cp2k-perf-openmp #################### ========== Fetching Git Commit ========== CommitSHA: a4ef93f7c8701ae244cb81dac5716d9a0d319435 CommitTime: 2021-04-14 13:22:20 +0200 CommitAuthor: Juerg Hutter CommitSubject: Fix some recent issues (#1469) ========== Running Test ========== ========== Compiling CP2K ========== Compiling cp2k... done. ========== Running Performance Test ========== Running H2O-64.inp with 1 threads and 32 ranks... done. Running H2O-64.inp with 32 threads and 1 ranks... done. From /workspace/artifacts/H2O-64_32omp.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.040 0.040 204.183 204.183 qs_mol_dyn_low 1 2.0 0.004 0.004 203.331 203.331 qs_forces 11 3.9 0.002 0.002 203.263 203.263 qs_energies 11 4.9 0.001 0.001 189.656 189.656 scf_env_do_scf 11 5.9 0.001 0.001 157.160 157.160 velocity_verlet 10 3.0 0.002 0.002 143.258 143.258 scf_env_do_scf_inner_loop 108 6.5 0.014 0.014 103.063 103.063 init_scf_loop 11 6.9 0.001 0.001 53.903 53.903 prepare_preconditioner 11 7.9 0.000 0.000 48.979 48.979 make_preconditioner 11 8.9 0.000 0.000 48.978 48.978 make_full_inverse_cholesky 11 9.9 0.000 0.000 46.952 46.952 rebuild_ks_matrix 119 8.3 0.001 0.001 46.485 46.485 qs_ks_build_kohn_sham_matrix 119 9.3 0.020 0.020 46.484 46.484 qs_rho_update_rho 119 7.7 0.001 0.001 43.249 43.249 calculate_rho_elec 119 8.7 1.608 1.608 43.248 43.248 qs_ks_update_qs_env 119 7.6 0.001 0.001 41.045 41.045 grid_collocate_task_list 119 9.7 35.995 35.995 35.995 35.995 sum_up_and_integrate 119 10.3 0.416 0.416 33.191 33.191 integrate_v_rspace 119 11.3 0.174 0.174 32.775 32.775 cp_fm_cholesky_invert 11 10.9 31.972 31.972 31.972 31.972 grid_integrate_task_list 119 12.3 28.633 28.633 28.633 28.633 qs_scf_new_mos 108 7.5 0.001 0.001 27.676 27.676 qs_scf_loop_do_ot 108 8.5 0.001 0.001 27.675 27.675 dbcsr_multiply_generic 2286 12.5 0.192 0.192 26.613 26.613 ot_scf_mini 108 9.5 0.004 0.004 25.086 25.086 ot_mini 108 10.5 0.001 0.001 16.893 16.893 init_scf_run 11 5.9 0.001 0.001 16.189 16.189 scf_env_initial_rho_setup 11 6.9 0.001 0.001 16.187 16.187 make_m2s 4572 13.5 0.068 0.068 15.460 15.460 wfi_extrapolate 11 7.9 0.001 0.001 15.203 15.203 qs_energies_init_hamiltonians 11 5.9 0.000 0.000 12.110 12.110 cp_gemm 81 9.0 0.000 0.000 12.039 12.039 cp_gemm_fm_gemm 81 10.0 0.000 0.000 12.039 12.039 cp_fm_gemm 81 11.0 12.039 12.039 12.039 12.039 pw_transfer 1439 11.6 0.109 0.109 10.225 10.225 fft_wrap_pw1pw2 1201 12.6 0.011 0.011 9.784 9.784 qs_ot_get_derivative 108 11.5 0.002 0.002 8.775 8.775 cp_fm_cholesky_decompose 22 10.9 8.547 8.547 8.547 8.547 make_images 4572 14.5 2.715 2.715 8.329 8.329 ot_diis_step 108 11.5 0.006 0.006 8.114 8.114 fft_wrap_pw1pw2_140 487 13.2 0.738 0.738 7.844 7.844 dbcsr_make_dense_low 5837 15.5 0.119 0.119 7.480 7.480 qs_ks_update_qs_env_forces 11 4.9 0.000 0.000 7.355 7.355 make_dense_data 5837 16.5 6.276 6.276 7.344 7.344 dbcsr_copy 2102 12.0 0.320 0.320 7.024 7.024 apply_preconditioner_dbcsr 119 12.6 0.000 0.000 6.751 6.751 apply_single 119 13.6 0.001 0.001 6.751 6.751 dbcsr_copy_into_existing 22 7.9 6.643 6.643 6.644 6.644 dbcsr_make_images_dense 3978 14.8 0.027 0.027 6.588 6.588 dbcsr_complete_redistribute 329 12.2 3.141 3.141 6.575 6.575 qs_env_update_s_mstruct 11 6.9 0.000 0.000 6.565 6.565 build_core_hamiltonian_matrix_ 11 4.9 0.001 0.001 6.249 6.249 multiply_cannon 2286 13.5 0.354 0.354 6.191 6.191 qs_create_task_list 11 7.9 0.000 0.000 5.956 5.956 generate_qs_task_list 11 8.9 4.020 4.020 5.955 5.955 density_rs2pw 119 9.7 0.007 0.007 5.645 5.645 pw_poisson_solve 119 10.3 2.490 2.490 5.430 5.430 copy_dbcsr_to_fm 153 11.3 0.004 0.004 5.334 5.334 multiply_cannon_loop 2286 14.5 0.083 0.083 5.320 5.320 multiply_cannon_multrec 2286 15.5 5.157 5.157 5.236 5.236 build_core_hamiltonian_matrix 11 6.9 0.001 0.001 4.844 4.844 fft3d_s 1202 14.6 4.597 4.597 4.603 4.603 transfer_dbcsr_to_fm 11 10.9 0.000 0.000 4.365 4.365 ------------------------------------------------------------------------------- From /workspace/artifacts/H2O-64_32mpi.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.011 0.015 122.089 122.090 qs_mol_dyn_low 1 2.0 0.007 0.008 121.965 121.971 qs_forces 11 3.9 0.002 0.002 121.907 121.908 qs_energies 11 4.9 0.001 0.002 116.378 116.381 scf_env_do_scf 11 5.9 0.001 0.001 104.032 104.034 velocity_verlet 10 3.0 0.002 0.002 81.830 81.831 scf_env_do_scf_inner_loop 108 6.5 0.007 0.015 69.606 69.607 init_scf_loop 11 6.9 0.001 0.001 34.405 34.406 rebuild_ks_matrix 119 8.3 0.001 0.001 33.840 33.877 qs_ks_build_kohn_sham_matrix 119 9.3 0.025 0.027 33.839 33.876 prepare_preconditioner 11 7.9 0.000 0.000 30.928 30.940 make_preconditioner 11 8.9 0.000 0.000 30.928 30.940 make_full_inverse_cholesky 11 9.9 0.000 0.001 30.737 30.764 qs_ks_update_qs_env 119 7.6 0.001 0.002 30.186 30.222 cp_fm_cholesky_invert 11 10.9 29.865 29.887 29.865 29.887 sum_up_and_integrate 119 10.3 0.067 0.071 26.051 26.074 integrate_v_rspace 119 11.3 0.005 0.006 25.984 26.011 qs_rho_update_rho 119 7.7 0.001 0.001 25.943 25.974 calculate_rho_elec 119 8.7 0.050 0.053 25.942 25.973 dbcsr_multiply_generic 2286 12.5 0.145 0.149 22.063 22.270 qs_scf_new_mos 108 7.5 0.001 0.001 18.805 18.854 qs_scf_loop_do_ot 108 8.5 0.001 0.001 18.804 18.853 grid_collocate_task_list 119 9.7 17.764 18.392 17.764 18.392 grid_integrate_task_list 119 12.3 17.657 18.074 17.657 18.074 ot_scf_mini 108 9.5 0.004 0.004 17.727 17.766 multiply_cannon 2286 13.5 0.241 0.246 15.000 15.250 multiply_cannon_loop 2286 14.5 0.250 0.262 13.597 13.978 mp_waitall_1 169478 16.3 11.364 11.703 11.364 11.703 ot_mini 108 10.5 0.001 0.001 10.274 10.314 rs_pw_transfer 974 11.9 0.020 0.021 8.652 9.340 init_scf_run 11 5.9 0.000 0.002 8.777 8.777 scf_env_initial_rho_setup 11 6.9 0.000 0.001 8.776 8.777 wfi_extrapolate 11 7.9 0.001 0.001 8.247 8.247 density_rs2pw 119 9.7 0.009 0.010 7.407 8.136 multiply_cannon_metrocomm3 18288 15.5 0.084 0.090 7.298 7.715 pw_transfer 1439 11.6 0.150 0.159 7.560 7.630 fft_wrap_pw1pw2 1201 12.6 0.016 0.017 7.203 7.282 potential_pw2rs 119 12.3 0.011 0.012 6.701 6.716 cp_gemm 81 9.0 0.000 0.000 6.585 6.596 cp_gemm_fm_gemm 81 10.0 0.000 0.000 6.584 6.595 cp_fm_gemm 81 11.0 6.584 6.595 6.584 6.595 fft_wrap_pw1pw2_140 487 13.2 0.681 0.703 6.207 6.412 fft3d_ps 1201 14.6 2.943 3.101 5.438 5.521 ot_diis_step 108 11.5 0.005 0.006 5.407 5.408 apply_preconditioner_dbcsr 119 12.6 0.000 0.000 5.192 5.405 apply_single 119 13.6 0.001 0.001 5.192 5.405 multiply_cannon_multrec 18288 15.5 4.812 4.959 4.831 4.977 make_m2s 4572 13.5 0.079 0.084 4.781 4.866 qs_ot_get_derivative 108 11.5 0.002 0.002 4.814 4.854 make_images 4572 14.5 0.193 0.202 4.022 4.115 qs_ks_update_qs_env_forces 11 4.9 0.000 0.000 3.918 3.924 mp_waitany 9880 13.7 3.139 3.807 3.139 3.807 rs_pw_transfer_RS2PW_140 130 11.5 0.574 0.609 2.654 3.362 rs_pw_transfer_PW2RS_140 130 13.9 1.546 1.584 3.310 3.337 qs_ot_get_p 119 10.4 0.001 0.002 2.837 2.882 mp_alltoall_d11v 2130 13.8 2.022 2.624 2.022 2.624 ------------------------------------------------------------------------------- Plot: name="H2O-64_timings_32omp", title="Timings of H2O-64 with 32 OpenMP Threads", ylabel="time [s]" PlotPoint: plot="H2O-64_timings_32omp", name="rest", label="rest", y=86.997, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="grid_collocate_task_list", label="grid_collocate_task_list", y=35.995, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="cp_fm_cholesky_invert", label="cp_fm_cholesky_invert", y=31.972, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="grid_integrate_task_list", label="grid_integrate_task_list", y=28.633, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="cp_fm_gemm", label="cp_fm_gemm", y=12.039, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="cp_fm_cholesky_decompose", label="cp_fm_cholesky_decompose", y=8.547, yerr=0.0 PlotPoint: plot="H2O-64_timings_32omp", name="mp_waitall_1", label="mp_waitall_1", y=0.0, yerr=0.0 Plot: name="H2O-64_timings_32mpi", title="Timings of H2O-64 with 32 MPI Ranks", ylabel="time [s]" PlotPoint: plot="H2O-64_timings_32mpi", name="rest", label="rest", y=38.85499999999999, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="grid_collocate_task_list", label="grid_collocate_task_list", y=17.764, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="cp_fm_cholesky_invert", label="cp_fm_cholesky_invert", y=29.865, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="grid_integrate_task_list", label="grid_integrate_task_list", y=17.657, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="cp_fm_gemm", label="cp_fm_gemm", y=6.584, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="cp_fm_cholesky_decompose", label="cp_fm_cholesky_decompose", y=0.0, yerr=0.0 PlotPoint: plot="H2O-64_timings_32mpi", name="mp_waitall_1", label="mp_waitall_1", y=11.364, yerr=0.0 Running H2O-64_nonortho.inp with 1 threads and 32 ranks... done. Running H2O-64_nonortho.inp with 32 threads and 1 ranks... done. From /workspace/artifacts/H2O-64_nonortho_32omp.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.036 0.036 236.865 236.865 qs_mol_dyn_low 1 2.0 0.004 0.004 236.003 236.003 qs_forces 11 3.9 0.002 0.002 235.942 235.942 qs_energies 11 4.9 0.001 0.001 221.475 221.475 scf_env_do_scf 11 5.9 0.001 0.001 186.231 186.231 velocity_verlet 10 3.0 0.002 0.002 164.212 164.212 scf_env_do_scf_inner_loop 96 6.5 0.012 0.012 128.053 128.053 rebuild_ks_matrix 107 8.3 0.001 0.001 66.664 66.664 qs_ks_build_kohn_sham_matrix 107 9.3 0.019 0.019 66.663 66.663 qs_ks_update_qs_env 107 7.6 0.001 0.001 60.071 60.071 qs_rho_update_rho 107 7.7 0.001 0.001 59.239 59.239 calculate_rho_elec 107 8.7 1.427 1.427 59.238 59.238 init_scf_loop 11 6.9 0.000 0.000 57.933 57.933 sum_up_and_integrate 107 10.3 0.385 0.385 53.429 53.429 grid_collocate_task_list 107 9.7 53.107 53.107 53.107 53.107 integrate_v_rspace 107 11.3 0.157 0.157 53.044 53.044 prepare_preconditioner 11 7.9 0.000 0.000 49.952 49.952 make_preconditioner 11 8.9 0.000 0.000 49.952 49.952 grid_integrate_task_list 107 12.3 49.574 49.574 49.574 49.574 make_full_inverse_cholesky 11 9.9 0.000 0.000 47.866 47.866 cp_fm_cholesky_invert 11 10.9 32.480 32.480 32.480 32.480 qs_scf_new_mos 96 7.5 0.001 0.001 22.100 22.100 qs_scf_loop_do_ot 96 8.5 0.001 0.001 22.099 22.099 dbcsr_multiply_generic 1966 12.4 0.168 0.168 21.282 21.282 ot_scf_mini 96 9.5 0.003 0.003 20.724 20.724 init_scf_run 11 5.9 0.001 0.001 17.658 17.658 scf_env_initial_rho_setup 11 6.9 0.001 0.001 17.657 17.657 wfi_extrapolate 11 7.9 0.001 0.001 16.514 16.514 ot_mini 96 10.5 0.001 0.001 13.728 13.728 qs_energies_init_hamiltonians 11 5.9 0.000 0.000 13.249 13.249 make_m2s 3932 13.4 0.060 0.060 12.613 12.613 cp_gemm 81 9.0 0.000 0.000 12.032 12.032 cp_gemm_fm_gemm 81 10.0 0.000 0.000 12.032 12.032 cp_fm_gemm 81 11.0 12.031 12.031 12.031 12.031 pw_transfer 1295 11.6 0.101 0.101 10.143 10.143 fft_wrap_pw1pw2 1081 12.6 0.010 0.010 9.786 9.786 fft_wrap_pw1pw2_140 439 13.2 1.056 1.056 8.619 8.619 cp_fm_cholesky_decompose 22 10.9 8.564 8.564 8.564 8.564 qs_ks_update_qs_env_forces 11 4.9 0.000 0.000 8.370 8.370 qs_env_update_s_mstruct 11 6.9 0.000 0.000 7.800 7.800 qs_create_task_list 11 7.9 0.000 0.000 7.203 7.203 generate_qs_task_list 11 8.9 5.292 5.292 7.203 7.203 dbcsr_copy 1855 11.9 0.454 0.454 7.040 7.040 qs_ot_get_derivative 96 11.5 0.002 0.002 7.019 7.019 dbcsr_complete_redistribute 317 12.2 3.239 3.239 7.001 7.001 make_images 3932 14.4 2.336 2.336 6.785 6.785 ot_diis_step 96 11.5 0.005 0.005 6.705 6.705 dbcsr_copy_into_existing 22 7.9 6.528 6.528 6.528 6.528 build_core_hamiltonian_matrix_ 11 4.9 0.001 0.001 6.094 6.094 dbcsr_make_dense_low 4961 15.5 0.102 0.102 6.027 6.027 make_dense_data 4961 16.5 5.197 5.197 5.910 5.910 copy_dbcsr_to_fm 147 11.2 0.004 0.004 5.768 5.768 apply_preconditioner_dbcsr 107 12.6 0.000 0.000 5.534 5.534 apply_single 107 13.6 0.001 0.001 5.534 5.534 dbcsr_make_images_dense 3386 14.7 0.022 0.022 5.346 5.346 build_core_hamiltonian_matrix 11 6.9 0.001 0.001 4.783 4.783 ------------------------------------------------------------------------------- From /workspace/artifacts/H2O-64_nonortho_32mpi.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.008 0.013 173.958 173.959 qs_mol_dyn_low 1 2.0 0.004 0.005 173.847 173.853 qs_forces 11 3.9 0.002 0.002 173.793 173.793 qs_energies 11 4.9 0.001 0.002 164.078 164.081 scf_env_do_scf 11 5.9 0.001 0.001 148.614 148.615 velocity_verlet 10 3.0 0.002 0.003 114.045 114.047 scf_env_do_scf_inner_loop 96 6.5 0.006 0.013 111.495 111.496 rebuild_ks_matrix 107 8.3 0.001 0.001 62.289 62.314 qs_ks_build_kohn_sham_matrix 107 9.3 0.022 0.024 62.288 62.313 sum_up_and_integrate 107 10.3 0.058 0.063 55.456 55.492 integrate_v_rspace 107 11.3 0.005 0.006 55.398 55.435 qs_ks_update_qs_env 107 7.6 0.001 0.001 54.664 54.690 qs_rho_update_rho 107 7.7 0.001 0.001 52.852 52.884 calculate_rho_elec 107 8.7 0.045 0.047 52.852 52.883 grid_integrate_task_list 107 12.3 47.237 48.266 47.237 48.266 grid_collocate_task_list 107 9.7 44.410 45.153 44.410 45.153 init_scf_loop 11 6.9 0.001 0.001 37.099 37.100 prepare_preconditioner 11 7.9 0.000 0.000 30.412 30.418 make_preconditioner 11 8.9 0.000 0.000 30.412 30.418 make_full_inverse_cholesky 11 9.9 0.000 0.000 30.235 30.260 cp_fm_cholesky_invert 11 10.9 29.400 29.420 29.400 29.420 dbcsr_multiply_generic 1966 12.4 0.124 0.126 18.852 19.009 qs_scf_new_mos 96 7.5 0.001 0.001 15.588 15.624 qs_scf_loop_do_ot 96 8.5 0.001 0.001 15.587 15.623 ot_scf_mini 96 9.5 0.003 0.003 14.684 14.719 multiply_cannon 1966 13.4 0.204 0.209 12.877 13.175 multiply_cannon_loop 1966 14.4 0.212 0.221 11.662 12.012 init_scf_run 11 5.9 0.000 0.002 11.822 11.822 scf_env_initial_rho_setup 11 6.9 0.000 0.001 11.822 11.822 wfi_extrapolate 11 7.9 0.001 0.002 11.068 11.068 mp_waitall_1 146670 16.2 9.676 9.967 9.676 9.967 rs_pw_transfer 878 11.9 0.018 0.019 8.588 9.898 density_rs2pw 107 9.7 0.008 0.009 7.780 9.139 ot_mini 96 10.5 0.001 0.001 8.462 8.496 qs_ks_update_qs_env_forces 11 4.9 0.000 0.000 7.854 7.865 pw_transfer 1295 11.6 0.133 0.139 7.102 7.154 fft_wrap_pw1pw2 1081 12.6 0.014 0.014 6.789 6.852 cp_gemm 81 9.0 0.000 0.000 6.649 6.655 cp_gemm_fm_gemm 81 10.0 0.000 0.000 6.649 6.654 cp_fm_gemm 81 11.0 6.648 6.654 6.648 6.654 multiply_cannon_metrocomm3 15728 15.4 0.071 0.073 6.229 6.525 fft_wrap_pw1pw2_140 439 13.2 0.595 0.618 5.948 6.108 potential_pw2rs 107 12.3 0.010 0.011 5.993 6.011 fft3d_ps 1081 14.6 2.567 3.137 5.258 5.342 mp_waitany 8968 13.7 3.766 5.091 3.766 5.091 rs_pw_transfer_RS2PW_140 118 11.5 0.452 0.482 3.197 4.506 apply_preconditioner_dbcsr 107 12.6 0.000 0.000 4.460 4.492 apply_single 107 13.6 0.001 0.001 4.460 4.492 ot_diis_step 96 11.5 0.004 0.005 4.420 4.420 multiply_cannon_multrec 15728 15.4 4.166 4.275 4.182 4.291 make_m2s 3932 13.4 0.067 0.072 4.083 4.143 mp_alltoall_d11v 1998 13.7 2.517 4.066 2.517 4.066 qs_ot_get_derivative 96 11.5 0.001 0.002 3.996 4.029 rs_gather_matrices 107 12.3 0.140 0.148 2.102 3.591 make_images 3932 14.4 0.167 0.172 3.444 3.509 ------------------------------------------------------------------------------- Plot: name="H2O-64_nonortho_timings_32omp", title="Timings of H2O-64_nonortho with 32 OpenMP Threads", ylabel="time [s]" PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="rest", label="rest", y=81.10900000000001, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="grid_collocate_task_list", label="grid_collocate_task_list", y=53.107, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="grid_integrate_task_list", label="grid_integrate_task_list", y=49.574, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="cp_fm_cholesky_invert", label="cp_fm_cholesky_invert", y=32.48, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="cp_fm_gemm", label="cp_fm_gemm", y=12.031, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="cp_fm_cholesky_decompose", label="cp_fm_cholesky_decompose", y=8.564, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32omp", name="mp_waitall_1", label="mp_waitall_1", y=0.0, yerr=0.0 Plot: name="H2O-64_nonortho_timings_32mpi", title="Timings of H2O-64_nonortho with 32 MPI Ranks", ylabel="time [s]" PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="rest", label="rest", y=36.58700000000002, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="grid_collocate_task_list", label="grid_collocate_task_list", y=44.41, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="grid_integrate_task_list", label="grid_integrate_task_list", y=47.237, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="cp_fm_cholesky_invert", label="cp_fm_cholesky_invert", y=29.4, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="cp_fm_gemm", label="cp_fm_gemm", y=6.648, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="cp_fm_cholesky_decompose", label="cp_fm_cholesky_decompose", y=0.0, yerr=0.0 PlotPoint: plot="H2O-64_nonortho_timings_32mpi", name="mp_waitall_1", label="mp_waitall_1", y=9.676, yerr=0.0 Running H2O-hyb.inp with 1 threads and 32 ranks... done. Running H2O-hyb.inp with 32 threads and 1 ranks... done. From /workspace/artifacts/H2O-hyb_32omp.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.366 0.366 273.968 273.968 qs_energies 1 2.0 0.000 0.000 272.698 272.698 scf_env_do_scf 1 3.0 0.000 0.000 269.258 269.258 qs_ks_update_qs_env 8 5.0 0.000 0.000 254.814 254.814 rebuild_ks_matrix 7 6.0 0.000 0.000 254.696 254.696 qs_ks_build_kohn_sham_matrix 7 7.0 0.002 0.002 254.696 254.696 hfx_ks_matrix 7 8.0 0.000 0.000 183.200 183.200 integrate_four_center 7 9.0 9.930 9.930 183.166 183.166 integrate_four_center_main 7 10.0 1.540 1.540 163.531 163.531 integrate_four_center_bin 446 11.0 161.991 161.991 161.991 161.991 scf_env_do_scf_inner_loop 7 4.0 0.001 0.001 153.785 153.785 init_scf_loop 1 4.0 0.000 0.000 115.456 115.456 cp_gemm 129 10.3 0.001 0.001 55.192 55.192 cp_gemm_fm_gemm 129 11.3 0.000 0.000 55.192 55.192 cp_fm_gemm 129 12.3 55.191 55.191 55.191 55.191 admm_mo_calc_rho_aux 7 8.0 0.000 0.000 32.745 32.745 admm_fit_mo_coeffs 7 9.0 0.000 0.000 29.824 29.824 admm_mo_merge_derivs 7 8.0 0.000 0.000 27.760 27.760 merge_mo_derivs_diag 7 9.0 0.023 0.023 27.760 27.760 purify_mo_diag 7 10.0 0.001 0.001 15.874 15.874 fit_mo_coeffs 7 10.0 0.000 0.000 13.950 13.950 integrate_four_center_load 7 10.0 0.000 0.000 9.140 9.140 hfx_load_balance 1 11.0 0.003 0.003 9.140 9.140 calculate_rho_elec 15 7.4 0.196 0.196 6.649 6.649 prepare_preconditioner 1 5.0 0.000 0.000 6.319 6.319 make_preconditioner 1 6.0 0.000 0.000 6.319 6.319 grid_collocate_task_list 15 8.4 5.786 5.786 5.786 5.786 ------------------------------------------------------------------------------- From /workspace/artifacts/H2O-hyb_32mpi.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.027 0.059 214.598 214.599 qs_energies 1 2.0 0.000 0.000 214.414 214.415 scf_env_do_scf 1 3.0 0.000 0.000 213.708 213.708 qs_ks_update_qs_env 8 5.0 0.000 0.000 207.416 207.417 rebuild_ks_matrix 7 6.0 0.000 0.000 207.401 207.402 qs_ks_build_kohn_sham_matrix 7 7.0 0.002 0.002 207.401 207.402 hfx_ks_matrix 7 8.0 0.000 0.001 172.901 172.921 integrate_four_center 7 9.0 0.128 0.408 172.888 172.908 integrate_four_center_main 7 10.0 0.005 0.006 158.977 161.682 integrate_four_center_bin 448 11.0 158.972 161.676 158.972 161.676 scf_env_do_scf_inner_loop 7 4.0 0.000 0.001 127.271 127.272 init_scf_loop 1 4.0 0.000 0.000 86.435 86.435 cp_gemm 129 10.3 0.001 0.001 25.911 25.919 cp_gemm_fm_gemm 129 11.3 0.000 0.000 25.911 25.919 cp_fm_gemm 129 12.3 25.910 25.918 25.910 25.918 admm_mo_merge_derivs 7 8.0 0.000 0.000 15.332 15.334 merge_mo_derivs_diag 7 9.0 0.013 0.014 15.332 15.334 admm_mo_calc_rho_aux 7 8.0 0.000 0.000 12.488 12.496 admm_fit_mo_coeffs 7 9.0 0.000 0.000 11.373 11.374 integrate_four_center_load 7 10.0 0.000 0.000 9.028 9.035 hfx_load_balance 1 11.0 0.001 0.002 9.028 9.035 purify_mo_diag 7 10.0 0.000 0.000 6.764 6.766 mp_sync 56 10.8 3.966 6.197 3.966 6.197 fit_mo_coeffs 7 10.0 0.000 0.000 4.609 4.612 hfx_load_balance_bin 1 12.0 4.352 4.509 4.352 4.509 hfx_load_balance_count 1 12.0 4.347 4.505 4.347 4.505 ------------------------------------------------------------------------------- Plot: name="H2O-hyb_timings_32omp", title="Timings of H2O-hyb with 32 OpenMP Threads", ylabel="time [s]" PlotPoint: plot="H2O-hyb_timings_32omp", name="rest", label="rest", y=39.53, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="integrate_four_center_bin", label="integrate_four_center_bin", y=161.991, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="cp_fm_gemm", label="cp_fm_gemm", y=55.191, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="integrate_four_center", label="integrate_four_center", y=9.93, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="grid_collocate_task_list", label="grid_collocate_task_list", y=5.786, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="integrate_four_center_main", label="integrate_four_center_main", y=1.54, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="mp_sync", label="mp_sync", y=0.0, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="hfx_load_balance_count", label="hfx_load_balance_count", y=0.0, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32omp", name="hfx_load_balance_bin", label="hfx_load_balance_bin", y=0.0, yerr=0.0 Plot: name="H2O-hyb_timings_32mpi", title="Timings of H2O-hyb with 32 MPI Ranks", ylabel="time [s]" PlotPoint: plot="H2O-hyb_timings_32mpi", name="rest", label="rest", y=16.918000000000006, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="integrate_four_center_bin", label="integrate_four_center_bin", y=158.972, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="cp_fm_gemm", label="cp_fm_gemm", y=25.91, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="integrate_four_center", label="integrate_four_center", y=0.128, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="grid_collocate_task_list", label="grid_collocate_task_list", y=0.0, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="integrate_four_center_main", label="integrate_four_center_main", y=0.005, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="mp_sync", label="mp_sync", y=3.966, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="hfx_load_balance_count", label="hfx_load_balance_count", y=4.347, yerr=0.0 PlotPoint: plot="H2O-hyb_timings_32mpi", name="hfx_load_balance_bin", label="hfx_load_balance_bin", y=4.352, yerr=0.0 Running bench_dftb.inp with 1 threads and 32 ranks... done. Running bench_dftb.inp with 32 threads and 1 ranks... done. From /workspace/artifacts/bench_dftb_32omp.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.109 0.109 331.120 331.120 qs_energies 1 2.0 0.000 0.000 330.928 330.928 ls_scf 1 3.0 0.000 0.000 328.847 328.847 ls_scf_main 1 4.0 0.002 0.002 311.505 311.505 density_matrix_trs4 11 5.0 0.013 0.013 155.957 155.957 ls_scf_dm_to_ks 11 5.0 0.000 0.000 148.079 148.079 matrix_ls_to_qs 11 6.0 0.000 0.000 143.238 143.238 dbcsr_multiply_generic 185 6.1 0.518 0.518 104.376 104.376 dbcsr_copy_into_existing 11 7.0 87.806 87.806 87.806 87.806 multiply_cannon 185 7.1 0.492 0.492 62.434 62.434 dbcsr_complete_redistribute 23 7.5 42.943 42.943 60.617 60.617 matrix_decluster 11 7.0 0.000 0.000 55.430 55.430 multiply_cannon_loop 185 8.1 0.467 0.467 41.872 41.872 multiply_cannon_multrec 185 9.1 39.371 39.371 39.430 39.430 make_m2s 370 7.1 0.033 0.033 35.103 35.103 make_images 370 8.1 8.000 8.000 32.226 32.226 arnoldi_extremal 12 6.1 0.000 0.000 29.006 29.006 arnoldi_normal_ev 12 7.1 0.027 0.027 29.005 29.005 build_subspace 23 8.1 0.140 0.140 28.315 28.315 dbcsr_matrix_vector_mult 652 9.0 0.218 0.218 27.159 27.159 dbcsr_matrix_vector_mult_local 652 10.0 25.850 25.850 25.868 25.868 dbcsr_finalize 646 7.5 0.247 0.247 23.716 23.716 dbcsr_merge_all 597 8.5 4.938 4.938 21.799 21.799 setup_rec_index_2d 370 8.1 19.893 19.893 19.893 19.893 dbcsr_sort_indices 1103 9.9 19.072 19.072 19.072 19.072 quick_finalize 395 10.0 0.593 0.593 16.368 16.368 ls_scf_init_scf 1 4.0 0.000 0.000 16.344 16.344 ls_scf_init_matrix_S 1 5.0 0.000 0.000 15.836 15.836 dbcsr_special_finalize 370 9.1 0.003 0.003 15.090 15.090 matrix_sqrt_Newton_Schulz 1 6.0 0.001 0.001 14.888 14.888 tree_to_linear_d 110 9.4 14.357 14.357 14.357 14.357 dbcsr_dot_sd 144 6.3 9.750 9.750 9.752 9.752 dbcsr_new_transposed 2 7.0 0.164 0.164 9.624 9.624 dbcsr_redistribute 2 8.0 9.345 9.345 9.414 9.414 dbcsr_frobenius_norm 142 6.1 9.152 9.152 9.155 9.155 make_images_data 370 9.1 0.014 0.014 8.954 8.954 matrix_qs_to_ls 12 5.1 0.000 0.000 7.732 7.732 matrix_cluster 12 6.1 0.000 0.000 7.732 7.732 hybrid_alltoall_any 393 9.9 6.537 6.537 7.378 7.378 ------------------------------------------------------------------------------- From /workspace/artifacts/bench_dftb_32mpi.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.009 0.011 112.056 112.057 qs_energies 1 2.0 0.000 0.000 111.960 111.960 ls_scf 1 3.0 0.000 0.000 111.872 111.873 ls_scf_main 1 4.0 0.001 0.003 107.264 107.265 density_matrix_trs4 11 5.0 0.011 0.015 103.151 103.253 dbcsr_multiply_generic 185 6.1 0.080 0.091 97.515 97.837 multiply_cannon 185 7.1 0.056 0.062 82.496 83.643 multiply_cannon_loop 185 8.1 0.285 0.294 77.953 79.957 multiply_cannon_multrec 1480 9.1 51.339 54.541 51.935 55.120 mp_waitall_1 11936 10.3 23.284 25.962 23.284 25.962 multiply_cannon_metrocomm3 1480 9.1 0.024 0.027 14.076 19.200 make_m2s 370 7.1 0.039 0.044 10.886 10.963 make_images 370 8.1 0.757 0.806 10.752 10.836 multiply_cannon_metrocomm1 1480 9.1 0.011 0.013 5.163 7.052 calculate_norms 2960 9.1 6.395 6.594 6.395 6.594 make_images_data 370 9.1 0.015 0.016 4.534 4.864 arnoldi_extremal 12 6.1 0.001 0.001 4.325 4.354 arnoldi_normal_ev 12 7.1 0.002 0.008 4.325 4.354 build_subspace 23 8.1 0.046 0.061 4.180 4.183 hybrid_alltoall_any 393 9.9 0.398 2.038 3.848 4.115 mp_sum_l 1039 5.9 2.676 3.953 2.676 3.953 ls_scf_dm_to_ks 11 5.0 0.000 0.000 3.527 3.645 ls_scf_init_scf 1 4.0 0.000 0.000 3.562 3.563 dbcsr_matrix_vector_mult 652 9.0 0.019 0.082 3.489 3.547 ls_scf_init_matrix_S 1 5.0 0.000 0.000 3.522 3.528 dbcsr_complete_redistribute 23 7.5 1.925 2.069 3.153 3.302 matrix_ls_to_qs 11 6.0 0.000 0.000 3.089 3.236 matrix_sqrt_Newton_Schulz 1 6.0 0.001 0.001 3.214 3.217 make_images_pack 370 9.1 2.907 3.187 2.913 3.194 matrix_decluster 11 7.0 0.000 0.000 2.823 2.974 dbcsr_multiply_generic_mpsum_f 137 7.1 0.001 0.001 1.831 2.917 buffer_matrices_ensure_size 370 8.1 2.708 2.832 2.708 2.832 dbcsr_matrix_vector_mult_local 652 10.0 2.655 2.772 2.659 2.776 dbcsr_add_d 280 6.0 0.002 0.002 2.578 2.675 dbcsr_add_anytype 280 7.0 1.412 1.504 2.577 2.674 dbcsr_finalize 646 7.5 0.016 0.018 2.264 2.360 ------------------------------------------------------------------------------- Plot: name="bench_dftb_timings_32omp", title="Timings of bench_dftb with 32 OpenMP Threads", ylabel="time [s]" PlotPoint: plot="bench_dftb_timings_32omp", name="rest", label="rest", y=115.257, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="dbcsr_copy_into_existing", label="dbcsr_copy_into_existing", y=87.806, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="dbcsr_complete_redistribute", label="dbcsr_complete_redistribute", y=42.943, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="multiply_cannon_multrec", label="multiply_cannon_multrec", y=39.371, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="dbcsr_matrix_vector_mult_local", label="dbcsr_matrix_vector_mult_local", y=25.85, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="setup_rec_index_2d", label="setup_rec_index_2d", y=19.893, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="calculate_norms", label="calculate_norms", y=0.0, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="make_images_pack", label="make_images_pack", y=0.0, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="buffer_matrices_ensure_size", label="buffer_matrices_ensure_size", y=0.0, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32omp", name="mp_waitall_1", label="mp_waitall_1", y=0.0, yerr=0.0 Plot: name="bench_dftb_timings_32mpi", title="Timings of bench_dftb with 32 MPI Ranks", ylabel="time [s]" PlotPoint: plot="bench_dftb_timings_32mpi", name="rest", label="rest", y=20.843000000000004, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="dbcsr_copy_into_existing", label="dbcsr_copy_into_existing", y=0.0, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="dbcsr_complete_redistribute", label="dbcsr_complete_redistribute", y=1.925, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="multiply_cannon_multrec", label="multiply_cannon_multrec", y=51.339, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="dbcsr_matrix_vector_mult_local", label="dbcsr_matrix_vector_mult_local", y=2.655, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="setup_rec_index_2d", label="setup_rec_index_2d", y=0.0, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="calculate_norms", label="calculate_norms", y=6.395, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="make_images_pack", label="make_images_pack", y=2.907, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="buffer_matrices_ensure_size", label="buffer_matrices_ensure_size", y=2.708, yerr=0.0 PlotPoint: plot="bench_dftb_timings_32mpi", name="mp_waitall_1", label="mp_waitall_1", y=23.284, yerr=0.0 Running dbcsr.inp with 1 threads and 32 ranks... done. Running dbcsr.inp with 32 threads and 1 ranks... done. From /workspace/artifacts/dbcsr_32omp.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.006 0.006 123.917 123.917 lib_test 1 2.0 0.000 0.000 123.910 123.910 dbcsr_run_tests 3 3.0 0.004 0.004 123.910 123.910 test_multiplies_multiproc 3 4.0 0.001 0.001 102.263 102.263 dbcsr_redistribute 9 5.0 70.391 70.391 73.980 73.980 dbcsr_multiply_generic 9 5.0 0.002 0.002 26.540 26.540 dbcsr_make_random_matrix 9 4.0 15.926 15.926 21.564 21.564 multiply_cannon 9 6.0 0.006 0.006 19.671 19.671 multiply_cannon_loop 9 7.0 0.007 0.007 19.078 19.078 multiply_cannon_multrec 9 8.0 19.070 19.070 19.071 19.071 dbcsr_finalize 27 5.7 0.005 0.005 9.553 9.553 dbcsr_merge_all 18 6.5 3.400 3.400 8.880 8.880 tree_to_linear_d 9 7.0 3.435 3.435 3.435 3.435 mp_alltoall_d11v 27 6.0 3.296 3.296 3.296 3.296 ------------------------------------------------------------------------------- From /workspace/artifacts/dbcsr_32mpi.out: ------------------------------------------------------------------------------- - - - T I M I N G - - - ------------------------------------------------------------------------------- SUBROUTINE CALLS ASD SELF TIME TOTAL TIME MAXIMUM AVERAGE MAXIMUM AVERAGE MAXIMUM CP2K 1 1.0 0.003 0.006 31.882 31.883 lib_test 1 2.0 0.000 0.000 31.854 31.871 dbcsr_run_tests 3 3.0 0.001 0.001 31.852 31.869 test_multiplies_multiproc 3 4.0 0.001 0.001 30.665 30.743 dbcsr_multiply_generic 9 5.0 0.002 0.002 28.371 28.450 multiply_cannon 9 6.0 0.003 0.004 25.775 26.372 multiply_cannon_loop 9 7.0 0.005 0.006 25.267 25.856 multiply_cannon_multrec 72 8.0 21.074 21.939 21.076 21.941 mp_waitall_1 576 9.2 4.677 5.481 4.677 5.481 multiply_cannon_metrocomm1 72 8.0 0.002 0.002 3.737 4.472 mp_sum_l 310 2.7 0.614 1.461 0.614 1.461 dbcsr_multiply_generic_mpsum_f 9 6.0 0.000 0.000 0.608 1.455 dbcsr_make_random_matrix 9 4.0 0.896 0.922 1.151 1.330 make_m2s 18 6.0 0.001 0.001 1.129 1.210 dbcsr_finalize 27 5.7 0.001 0.001 0.970 1.208 make_images 18 7.0 0.028 0.029 1.126 1.207 dbcsr_merge_all 18 6.5 0.176 0.196 0.898 1.132 multiply_cannon_metrocomm3 72 8.0 0.000 0.001 0.440 0.942 dbcsr_redistribute 9 5.0 0.450 0.520 0.803 0.842 make_images_data 18 8.0 0.001 0.001 0.560 0.680 ------------------------------------------------------------------------------- Plot: name="dbcsr_timings_32omp", title="Timings of dbcsr with 32 OpenMP Threads", ylabel="time [s]" PlotPoint: plot="dbcsr_timings_32omp", name="rest", label="rest", y=11.694999999999979, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="dbcsr_redistribute", label="dbcsr_redistribute", y=70.391, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="multiply_cannon_multrec", label="multiply_cannon_multrec", y=19.07, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="dbcsr_make_random_matrix", label="dbcsr_make_random_matrix", y=15.926, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="tree_to_linear_d", label="tree_to_linear_d", y=3.435, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="dbcsr_merge_all", label="dbcsr_merge_all", y=3.4, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="mp_sum_l", label="mp_sum_l", y=0.0, yerr=0.0 PlotPoint: plot="dbcsr_timings_32omp", name="mp_waitall_1", label="mp_waitall_1", y=0.0, yerr=0.0 Plot: name="dbcsr_timings_32mpi", title="Timings of dbcsr with 32 MPI Ranks", ylabel="time [s]" PlotPoint: plot="dbcsr_timings_32mpi", name="rest", label="rest", y=3.995000000000001, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="dbcsr_redistribute", label="dbcsr_redistribute", y=0.45, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="multiply_cannon_multrec", label="multiply_cannon_multrec", y=21.074, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="dbcsr_make_random_matrix", label="dbcsr_make_random_matrix", y=0.896, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="tree_to_linear_d", label="tree_to_linear_d", y=0.0, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="dbcsr_merge_all", label="dbcsr_merge_all", y=0.176, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="mp_sum_l", label="mp_sum_l", y=0.614, yerr=0.0 PlotPoint: plot="dbcsr_timings_32mpi", name="mp_waitall_1", label="mp_waitall_1", y=4.677, yerr=0.0 Summary: Performance test works fine. Status: OK Uploading artifacts... done EndDate: 2021-04-14 20:51:37+00:00