Match comparison for Benzene Multipoles [step 20] (match type 30137)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497201627490e-02 | 1.360000000000000e-14 | -2.094497201627209e-02 | 7.278735038432479e-15 | -2.094497201627492e-02 | 1.239112978890233e-14 | PASS |
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Detailed information
Reference: -0.0209449720162749, precision: 0.0000000000000136| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2022a_serial | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2022a_serial_min | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2022a_ppc | -2.094497201628204e-02 | -7.140121827120538e-15 | -5.250089578765101e-01 | PASS |
| spack_foss-2023a_serial | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2023b_serial | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.094497201626253e-02 | 1.237204783066659e-14 | 9.097093993137197e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_foss-2022a_mpi | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_foss-2023a_mpi | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.094497201628731e-02 | -1.241021174713808e-14 | -9.125155696425057e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.094497201628574e-02 | -1.083508283095114e-14 | -7.966972669817013e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.094497201628574e-02 | -1.083508283095114e-14 | -7.966972669817013e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.094497201626253e-02 | 1.237204783066659e-14 | 9.097093993137197e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.094497201628204e-02 | -7.140121827120538e-15 | -5.250089578765101e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.094497201626564e-02 | 9.256484467812243e-15 | 6.806238579273708e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.094497201626564e-02 | 9.256484467812243e-15 | 6.806238579273708e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.094497201627030e-02 | 4.600486658290492e-15 | 3.382710778154774e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.094497201628068e-02 | -5.783568068906675e-15 | -4.252623580078437e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.094497201628583e-02 | -1.093222734560584e-14 | -8.038402460004292e-01 | PASS |
| spack_intel-2023a_serial | -2.094497201628731e-02 | -1.241021174713808e-14 | -9.125155696425057e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.094497201628574e-02 | -1.083508283095114e-14 | -7.966972669817013e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.094497201628574e-02 | -1.083508283095114e-14 | -7.966972669817013e-01 | PASS |
| spack_intel-2023a_impi | -2.094497201627001e-02 | 4.895389649206550e-15 | 3.599551212651875e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.094497201627137e-02 | 3.528427550136826e-15 | 2.594432022159431e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094497201627617e-02 | -1.269817584415023e-15 | -9.336894003051638e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.094497201626517e-02 | 9.735268147181841e-15 | 7.158285402339589e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.094497201627267e-02 | 2.230854390106174e-15 | 1.640334110372187e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.094497201627267e-02 | 2.230854390106174e-15 | 1.640334110372187e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.094497201627137e-02 | 3.528427550136826e-15 | 2.594432022159431e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.094497201627001e-02 | 4.895389649206550e-15 | 3.599551212651875e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.094497201628583e-02 | -1.093222734560584e-14 | -8.038402460004292e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.094497201628068e-02 | -5.783568068906675e-15 | -4.252623580078437e-01 | PASS |