Match comparison for Hartree energy (match type 29030)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.021577808600000e+02 | 8.300000000000000e-07 | 1.021577814992000e+02 | 4.096527282501572e-07 | 1.021577808650000e+02 | 7.549999949674202e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 102.15778086, precision: 0.00000083| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_fosscuda-2022a | 1.021577801100000e+02 | -7.499999981064320e-07 | -9.036144555499181e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_foss-2022a_debug | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_intel-2022a | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| intel-2022b | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_intel-2022a_omp | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_intel-2022a_impi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_serial | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_mpi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.021577801100000e+02 | -7.499999981064320e-07 | -9.036144555499181e-01 | PASS |
| spack_foss-2022a_serial_min | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| intel-2022b_impi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| spack_foss-2022a_mpi_omp | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_intel-2022a_omp_impi | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |
| eb_foss-2022a_valgrind | 1.021577816200000e+02 | 7.599999918284084e-07 | 9.156626407571186e-01 | PASS |