Match comparison for Force C1 (z) (match type 29548)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 12-vdw_solid_c6.02-gs_graphene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.911449320000000e-15 | 4.460000000000000e-15 | -4.345287784814816e-16 | 4.466779684349288e-16 | -6.249963175000001e-16 | 7.695639825000000e-16 | PASS |
Checks for this match
- GPU builders have different values.
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000000000000191144932, precision: 0.00000000000000446| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2022a_serial_min | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2022a_serial | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2022a_ppc | -1.086782280000000e-15 | 8.246670400000000e-16 | 1.849029237668161e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.287849890000000e-15 | 6.235994300000000e-16 | 1.398205000000000e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| spack_foss-2022a_mpi | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_mpi | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -1.598229300000000e-16 | 1.751626390000000e-15 | 3.927413430493274e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -1.184500040000000e-15 | 7.269492800000000e-16 | 1.629931121076233e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -9.641582640000001e-16 | 9.472910560000000e-16 | 2.123970977578475e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -1.254417920000000e-15 | 6.570314000000001e-16 | 1.473164573991032e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 1.445676650000000e-16 | 2.056016985000000e-15 | 4.609903553811660e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -1.086782280000000e-15 | 8.246670400000000e-16 | 1.849029237668161e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_serial | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -8.813415980000000e-16 | 1.030107722000000e-15 | 2.309658569506726e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_serial_min | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_mpi_omp | -8.813415980000000e-16 | 1.030107722000000e-15 | 2.309658569506726e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -1.156778510000000e-15 | 7.546708100000001e-16 | 1.692087017937220e-01 | PASS |
| spack_foss-2023b_serial | -2.132453960000000e-16 | 1.698203924000000e-15 | 3.807632116591929e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.184500040000000e-15 | 7.269492800000000e-16 | 1.629931121076233e-01 | PASS |
| spack_intel-2023a_serial | -1.598229300000000e-16 | 1.751626390000000e-15 | 3.927413430493274e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.254417920000000e-15 | 6.570314000000001e-16 | 1.473164573991032e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.641582640000001e-16 | 9.472910560000000e-16 | 2.123970977578475e-01 | PASS |
| spack_intel-2023a_impi | 1.445676650000000e-16 | 2.056016985000000e-15 | 4.609903553811660e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.156778510000000e-15 | 7.546708100000001e-16 | 1.692087017937220e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.394560300000000e-15 | 5.168890200000000e-16 | 1.158943991031390e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.287849890000000e-15 | 6.235994300000000e-16 | 1.398205000000000e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -1.472602300000000e-16 | 1.764189090000000e-15 | 3.955580919282511e-01 | PASS |