Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470793229358995e+01 | 1.920000000000000e-11 | -2.470793229359653e+01 | 5.654360479479271e-12 | -2.470793229358994e+01 | 1.747402222918026e-11 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -24.70793229358995, precision: 0.0000000000192| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470793229359543e+01 | -5.485389920067973e-12 | -2.856973916702070e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.470793229359543e+01 | -5.485389920067973e-12 | -2.856973916702070e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.470793229359543e+01 | -5.485389920067973e-12 | -2.856973916702070e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470793229360154e+01 | -1.158895202024723e-11 | -6.035912510545435e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470793229359543e+01 | -5.485389920067973e-12 | -2.856973916702070e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.645262035613996e-12 | -2.940240643548956e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470793229360146e+01 | -1.150723960563482e-11 | -5.993353961268137e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470793229360146e+01 | -1.150723960563482e-11 | -5.993353961268137e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470793229357247e+01 | 1.747935129969846e-11 | 9.103828801926284e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470793229360143e+01 | -1.147881789620442e-11 | -5.978550987606468e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470793229360742e+01 | -1.746869315866206e-11 | -9.098277686803158e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470793229359544e+01 | -5.488942633746774e-12 | -2.858824288409778e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470793229360734e+01 | -1.739053345772845e-11 | -9.057569509233570e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470793229360148e+01 | -1.152855588770763e-11 | -6.004456191514389e-01 | PASS |