Match comparison for gga_xc_pbe1w Int[n*v_xc] (match type 12421)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.307628100000000e-01 | 5.130000000000000e-06 | -4.307667685185185e-01 | 2.440533796650710e-06 | -4.307628000000000e-01 | 4.669999999984409e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.43076281, precision: 0.00000513| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2022a_serial_min | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2023a_serial_min | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2023a_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2022a_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2022a_ppc | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2022a_mpi | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2023a_mpi | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.307581300000000e-01 | 4.679999999979145e-06 | 9.122807017503207e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.307581500000000e-01 | 4.659999999989672e-06 | 9.083820662747899e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2023b_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_intel-2023a_serial | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.307674500000000e-01 | -4.640000000000200e-06 | -9.044834307992592e-01 | PASS |
| spack_intel-2023a_impi | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.307674700000000e-01 | -4.659999999989672e-06 | -9.083820662747899e-01 | PASS |