Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470793229360036e+01 | 2.470000000000000e-13 | -2.470793229360038e+01 | 8.491119997043953e-14 | -2.470793229360036e+01 | 1.101341240428155e-13 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: -24.70793229360036, precision: 0.000000000000247| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.470793229360048e+01 | -1.136868377216160e-13 | -4.602705980632228e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2022a_ppc | -2.470793229360048e+01 | -1.136868377216160e-13 | -4.602705980632228e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.470793229360027e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_foss-2022a_mpi | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_foss-2022a_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2022a_serial_min | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_foss-2023a_mpi | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_foss-2023a_serial_min | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023b_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.470793229360039e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.470793229360039e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.470793229360045e+01 | -8.881784197001252e-14 | -3.595864047368928e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.470793229360025e+01 | 1.065814103640150e-13 | 4.315036856842713e-01 | PASS |
| spack_intel-2023a_serial | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.470793229360045e+01 | -8.881784197001252e-14 | -3.595864047368928e-01 | PASS |
| spack_intel-2023a_impi | -2.470793229360036e+01 | 3.552713678800501e-15 | 1.438345618947571e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.470793229360045e+01 | -8.881784197001252e-14 | -3.595864047368928e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.470793229360046e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.470793229360035e+01 | 1.421085471520200e-14 | 5.753382475790285e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.470793229360027e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.470793229360027e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.470793229360027e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -2.470793229360027e+01 | 8.881784197001252e-14 | 3.595864047368928e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470793229360025e+01 | 1.065814103640150e-13 | 4.315036856842713e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -2.470793229360029e+01 | 7.460698725481052e-14 | 3.020525799789899e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.470793229360045e+01 | -8.881784197001252e-14 | -3.595864047368928e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.470793229360034e+01 | 1.776356839400250e-14 | 7.191728094737856e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.470793229360029e+01 | 6.750155989720952e-14 | 2.732856676000385e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470793229360033e+01 | 3.197442310920451e-14 | 1.294511057052814e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.470793229360039e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470793229360039e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470793229360029e+01 | 6.750155989720952e-14 | 2.732856676000385e-01 | PASS |