Match comparison for Forces [step 3] (match type 29801)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.490739460340152e-01 | 1.480000000000000e-06 | -2.490736993600484e-01 | 2.892698339288207e-07 | -2.490737187877848e-01 | 7.326886756475748e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.2490739460340152, precision: 0.00000148| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | -2.490735720337554e-01 | 3.740002598451309e-07 | 2.527028782737371e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.490735720337554e-01 | 3.740002598451309e-07 | 2.527028782737371e-01 | PASS |
| spack_foss-2022a_serial_min | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.490740942293849e-01 | -1.481953696980121e-07 | -1.001320065527108e-01 | PASS |
| spack_foss-2022a_ppc | -2.490735489243177e-01 | 3.971096975141641e-07 | 2.683173631852460e-01 | PASS |
| spack_foss-2022a_serial | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.490736679492019e-01 | 2.780848133154823e-07 | 1.878951441320826e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.490734813565368e-01 | 4.646774784122787e-07 | 3.139712691974856e-01 | PASS |
| spack_foss-2022a_mpi | -2.490734739306138e-01 | 4.721034014276704e-07 | 3.189887847484259e-01 | PASS |
| spack_foss-2023a_mpi | -2.490734739306138e-01 | 4.721034014276704e-07 | 3.189887847484259e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.490734813565368e-01 | 4.646774784122787e-07 | 3.139712691974856e-01 | PASS |
| spack_foss-2023a_serial | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.490736679492019e-01 | 2.780848133154823e-07 | 1.878951441320826e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.490734739306138e-01 | 4.721034014276704e-07 | 3.189887847484259e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| spack_foss-2023a_serial_min | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.490729860991091e-01 | 9.599349060640527e-07 | 6.486046662594951e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.490740009119775e-01 | -5.487796234104891e-08 | -3.707970428449251e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.490735720337554e-01 | 3.740002598451309e-07 | 2.527028782737371e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.490744514764604e-01 | -5.054424452310968e-07 | -3.415151656966871e-01 | PASS |
| spack_foss-2023b_serial | -2.490737567616619e-01 | 1.892723532626039e-07 | 1.278867251774351e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.490732412256595e-01 | 7.048083557059659e-07 | 4.762218619634905e-01 | PASS |
| spack_intel-2023a_serial | -2.490743574183365e-01 | -4.113843213027213e-07 | -2.779623792585955e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.490738027804357e-01 | 1.432535794709811e-07 | 9.679295910201423e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.490738027804357e-01 | 1.432535794709811e-07 | 9.679295910201423e-02 | PASS |
| spack_intel-2023a_impi | -2.490737563096439e-01 | 1.897243712967178e-07 | 1.281921427680526e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.490737732672017e-01 | 1.727668135220739e-07 | 1.167343334608607e-01 | PASS |
| spack_foss-2023a_valgrind | -2.490737895838362e-01 | 1.564501789508288e-07 | 1.057095803721816e-01 | PASS |