Match comparison for PBE0 Fock Correlation (match type 12505)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.521371850000000e-01 | 3.100000000000000e-06 | -2.521396193333333e-01 | 1.404288511028774e-06 | -2.521371800000000e-01 | 2.819999999986722e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.252137185, precision: 0.0000031| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-min] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-full] | -2.521399900000000e-01 | -2.804999999994617e-06 | -9.048387096756830e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-full-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-min-mpi] | -2.521400000000000e-01 | -2.814999999989354e-06 | -9.080645161255980e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.521343600000000e-01 | 2.824999999984090e-06 | 9.112903225755130e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.521343700000000e-01 | 2.814999999989354e-06 | 9.080645161255980e-01 | PASS |