Match comparison for Tot. Maxwell energy [step 300] (match type 20979)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401724560682102e-06 | 1.000000000000000e-19 | 1.401724560682089e-06 | 3.537374472550664e-20 | 1.401724560682102e-06 | 9.105604182983729e-20 | PASS |
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Detailed information
Reference: 0.000001401724560682102, precision: 0.0000000000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2022a_serial | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2022a_serial_min | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2022a_ppc | 1.401724560682078e-06 | -2.456395547037471e-20 | -2.456395547037471e-01 | PASS |
| spack_foss-2023a_serial | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2023b_serial | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.401724560682176e-06 | 7.411538288475128e-20 | 7.411538288475128e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_foss-2022a_mpi | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_foss-2023a_mpi | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 1.401724560682069e-06 | -3.303428494291771e-20 | -3.303428494291771e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 1.401724560682042e-06 | -6.013933925505532e-20 | -6.013933925505532e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 1.401724560682042e-06 | -6.013933925505532e-20 | -6.013933925505532e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.401724560682176e-06 | 7.411538288475128e-20 | 7.411538288475128e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 1.401724560682078e-06 | -2.456395547037471e-20 | -2.456395547037471e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.401724560682193e-06 | 9.063252535621014e-20 | 9.063252535621014e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 1.401724560682193e-06 | 9.063252535621014e-20 | 9.063252535621014e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.401724560682092e-06 | -1.016439536705160e-20 | -1.016439536705160e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.401724560682011e-06 | -9.147955830346444e-20 | -9.147955830346444e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.401724560682126e-06 | 2.392868075993398e-20 | 2.392868075993398e-01 | PASS |
| spack_intel-2023a_serial | 1.401724560682069e-06 | -3.303428494291771e-20 | -3.303428494291771e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.401724560682042e-06 | -6.013933925505532e-20 | -6.013933925505532e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.401724560682042e-06 | -6.013933925505532e-20 | -6.013933925505532e-01 | PASS |
| spack_intel-2023a_impi | 1.401724560682084e-06 | -1.778769189234031e-20 | -1.778769189234031e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.401724560682107e-06 | 4.870439446712227e-21 | 4.870439446712227e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401724560682076e-06 | -2.583450489125616e-20 | -2.583450489125616e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 1.401724560682074e-06 | -2.837560373301906e-20 | -2.837560373301906e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 1.401724560682121e-06 | 1.926999955003533e-20 | 1.926999955003533e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 1.401724560682121e-06 | 1.926999955003533e-20 | 1.926999955003533e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.401724560682107e-06 | 4.446922973085077e-21 | 4.446922973085077e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 1.401724560682084e-06 | -1.778769189234031e-20 | -1.778769189234031e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 1.401724560682126e-06 | 2.392868075993398e-20 | 2.392868075993398e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 1.401724560682011e-06 | -9.147955830346444e-20 | -9.147955830346444e-01 | PASS |