Match comparison for Hartree energy (match type 28980)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.818233363000000e+01 | 1.250000000000000e-05 | 1.818234234444444e+01 | 6.478804378599796e-06 | 1.818233358000000e+01 | 1.321000000054084e-05 | FAIL |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 18.18233363, precision: 0.0000125| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.818234290000000e+01 | 9.269999999617085e-06 | 7.415999999693668e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.818234368000000e+01 | 1.005000000020573e-05 | 8.040000000164582e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.818234368000000e+01 | 1.005000000020573e-05 | 8.040000000164582e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.818232084000000e+01 | -1.278999999954067e-05 | -1.023199999963254e+00 | FAIL |
| cmake_foss_2022a_min_mpi | 1.818233996000000e+01 | 6.330000001497638e-06 | 5.064000001198110e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.818233996000000e+01 | 6.330000001497638e-06 | 5.064000001198110e-01 | PASS |
| spack_foss-2022a_serial_min | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2022a_serial | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2022a_mpi_min | 1.818234299000000e+01 | 9.359999999958291e-06 | 7.487999999966632e-01 | PASS |
| spack_foss-2022a_mpi | 1.818234299000000e+01 | 9.359999999958291e-06 | 7.487999999966632e-01 | PASS |
| spack_foss-2023a_mpi | 1.818234299000000e+01 | 9.359999999958291e-06 | 7.487999999966632e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.818234299000000e+01 | 9.359999999958291e-06 | 7.487999999966632e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.818234299000000e+01 | 9.359999999958291e-06 | 7.487999999966632e-01 | PASS |
| spack_foss-2023a_serial | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2023a_serial_min | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2022a_cuda_serial | 1.818232037000000e+01 | -1.325999999934879e-05 | -1.060799999947903e+00 | FAIL |
| spack_foss-2023a_mpi_opt | 1.818233996000000e+01 | 6.330000001497638e-06 | 5.064000001198110e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2023a_serial_opt | 1.818234368000000e+01 | 1.005000000020573e-05 | 8.040000000164582e-01 | PASS |
| spack_foss-2023b_serial | 1.818234679000000e+01 | 1.316000000173290e-05 | 1.052800000138632e+00 | FAIL |
| spack_foss-2023a_serial_omp | 1.818234423000000e+01 | 1.060000000308037e-05 | 8.480000002464294e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.818234328000000e+01 | 9.650000002636716e-06 | 7.720000002109373e-01 | PASS |
| spack_intel-2023a_serial | 1.818234464000000e+01 | 1.101000000147678e-05 | 8.808000001181426e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.818234546000000e+01 | 1.183000000182233e-05 | 9.464000001457862e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.818234546000000e+01 | 1.183000000182233e-05 | 9.464000001457862e-01 | PASS |
| spack_intel-2023a_impi | 1.818234336000000e+01 | 9.730000002150518e-06 | 7.784000001720415e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.818234615000000e+01 | 1.252000000206976e-05 | 1.001600000165581e+00 | FAIL |