Match comparison for Hartree energy (match type 29766)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.803583342000000e+01 | 3.340000000000000e-04 | 1.803613139037037e+01 | 9.042182005391927e-06 | 1.803611701000000e+01 | 1.866000000028123e-05 | 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: 18.03583342, precision: 0.000334| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.803613410000000e+01 | 3.006800000022736e-04 | 9.002395209648910e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.803613567000000e+01 | 3.022500000007255e-04 | 9.049401197626514e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.803613567000000e+01 | 3.022500000007255e-04 | 9.049401197626514e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.803609835000000e+01 | 2.649300000001631e-04 | 7.932035928148596e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.803613399000000e+01 | 3.005700000002776e-04 | 8.999101796415496e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.803613399000000e+01 | 3.005700000002776e-04 | 8.999101796415496e-01 | PASS |
| spack_foss-2022a_serial_min | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2022a_serial | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.803613246000000e+01 | 2.990400000015825e-04 | 8.953293413221033e-01 | PASS |
| spack_foss-2022a_mpi | 1.803613246000000e+01 | 2.990400000015825e-04 | 8.953293413221033e-01 | PASS |
| spack_foss-2023a_mpi | 1.803613246000000e+01 | 2.990400000015825e-04 | 8.953293413221033e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.803613246000000e+01 | 2.990400000015825e-04 | 8.953293413221033e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.803613246000000e+01 | 2.990400000015825e-04 | 8.953293413221033e-01 | PASS |
| spack_foss-2023a_serial | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2023a_serial_min | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.803610086000000e+01 | 2.674400000017840e-04 | 8.007185628795930e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.803613399000000e+01 | 3.005700000002776e-04 | 8.999101796415496e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.803613567000000e+01 | 3.022500000007255e-04 | 9.049401197626514e-01 | PASS |
| spack_foss-2023b_serial | 1.803613392000000e+01 | 3.005000000015912e-04 | 8.997005988071592e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.803613377000000e+01 | 3.003499999998382e-04 | 8.992514970055038e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.803613458000000e+01 | 3.011599999993564e-04 | 9.016766467046599e-01 | PASS |
| spack_intel-2023a_serial | 1.803613354000000e+01 | 3.001200000021242e-04 | 8.985628742578571e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.803613481000000e+01 | 3.013900000006231e-04 | 9.023652694629435e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.803613481000000e+01 | 3.013900000006231e-04 | 9.023652694629435e-01 | PASS |
| spack_intel-2023a_impi | 1.803613380000000e+01 | 3.003800000023205e-04 | 8.993413173722170e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.803613412000000e+01 | 3.007000000003757e-04 | 9.002994011987295e-01 | PASS |