Match comparison for H3 Electrons (match type 15311)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.373541370224170e-01 | 4.190000000000000e-14 | 8.373541370224171e-01 | 1.171009018071045e-15 | 8.373541370224162e-01 | 2.831068712794149e-15 | PASS |
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Detailed information
Reference: 0.837354137022417, precision: 0.0000000000000419| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 8.373541370224135e-01 | -3.552713678800501e-15 | -8.479030259667067e-02 | PASS |
| cmake_foss_2022a_full_serial | 8.373541370224166e-01 | -4.440892098500626e-16 | -1.059878782458383e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.373541370224166e-01 | -4.440892098500626e-16 | -1.059878782458383e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.373541370224191e-01 | 2.109423746787797e-15 | 5.034424216677321e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.373541370224187e-01 | 1.665334536937735e-15 | 3.974545434218938e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_foss-2022a_mpi | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_foss-2022a_serial_min | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_foss-2022a_serial | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_foss-2023a_mpi_min | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_foss-2023a_mpi | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_foss-2022a_cuda_serial | 8.373541370224191e-01 | 2.109423746787797e-15 | 5.034424216677321e-02 | PASS |
| spack_foss-2023a_serial | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_foss-2023a_mpi_opt | 8.373541370224191e-01 | 2.109423746787797e-15 | 5.034424216677321e-02 | PASS |
| spack_foss-2023a_serial_min | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_foss-2023a_serial_opt | 8.373541370224166e-01 | -4.440892098500626e-16 | -1.059878782458383e-02 | PASS |
| spack_foss-2023a_mpi_debug | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| spack_intel-2023a_impi | 8.373541370224175e-01 | 4.440892098500626e-16 | 1.059878782458383e-02 | PASS |
| spack_foss-2023a_serial_debug | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.373541370224186e-01 | 1.554312234475219e-15 | 3.709575738604342e-02 | PASS |
| spack_foss-2023a_mpi_omp | 8.373541370224175e-01 | 4.440892098500626e-16 | 1.059878782458383e-02 | PASS |
| spack_foss-2023b_serial | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| spack_intel-2023a_serial | 8.373541370224181e-01 | 1.110223024625157e-15 | 2.649696956145959e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.373541370224173e-01 | 3.330669073875470e-16 | 7.949090868437876e-03 | PASS |
| spack_intel-2023a_serial_omp | 8.373541370224173e-01 | 3.330669073875470e-16 | 7.949090868437876e-03 | PASS |
| spack_foss-2023a_valgrind | 8.373541370224178e-01 | 7.771561172376096e-16 | 1.854787869302171e-02 | PASS |
| spack_intel-2022a_impi_omp | 8.373541370224181e-01 | 1.110223024625157e-15 | 2.649696956145959e-02 | PASS |