Match comparison for PBE0 Fock Int[n*v_xc] (match type 12506)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.236457000000000e-01 | 3.840000000000000e-06 | -3.236487193333332e-01 | 1.741035962355021e-06 | -3.236456950000000e-01 | 3.494999999992254e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.3236457, precision: 0.00000384| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-min] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-full] | -3.236491800000000e-01 | -3.480000000000150e-06 | -9.062500000000391e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.236491900000000e-01 | -3.489999999994886e-06 | -9.088541666653350e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.236422000000000e-01 | 3.499999999989623e-06 | 9.114583333306310e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.236422100000000e-01 | 3.489999999994886e-06 | 9.088541666653350e-01 | PASS |