Match comparison for Hartree energy (match type 21129)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.596187412000000e+01 | 4.250000000000000e-02 | 3.596283610666666e+01 | 6.875076920685348e-03 | 3.596053460000000e+01 | 2.359771000000066e-02 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 35.96187412, precision: 0.0425| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2022a_ppc | 3.596194758000000e+01 | 7.346000000296726e-05 | 1.728470588305112e-03 | PASS |
| cmake_foss_2022a_min_serial | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| cmake_foss_2022a_min_mpi | 3.596194799000000e+01 | 7.387000000136368e-05 | 1.738117647090910e-03 | PASS |
| cmake_foss_2022a_full_mpi | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2022a_mpi_min | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2022a_mpi | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2022a_serial | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2022a_serial_min | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_mpi | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_mpi_min | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_serial_min | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_serial | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_mpi_opt | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_mpi_debug | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_serial_opt | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023b_serial | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_serial_debug | 3.596194749000000e+01 | 7.337000000262606e-05 | 1.726352941238260e-03 | PASS |
| spack_foss-2023a_serial_omp | 3.596865236000000e+01 | 6.778240000002711e-03 | 1.594880000000638e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.596865241000000e+01 | 6.778289999999743e-03 | 1.594891764705822e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.596194764000000e+01 | 7.352000000082626e-05 | 1.729882352960618e-03 | PASS |
| spack_intel-2023a_serial | 3.593693689000000e+01 | -2.493722999999903e-02 | -5.867583529411536e-01 | PASS |
| spack_intel-2023a_impi | 3.596865250000000e+01 | 6.778380000000084e-03 | 1.594912941176490e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.598413231000000e+01 | 2.225819000000229e-02 | 5.237221176471126e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.596865241000000e+01 | 6.778289999999743e-03 | 1.594891764705822e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.596194541000000e+01 | 7.129000000105634e-05 | 1.677411764730737e-03 | PASS |
| spack_foss-2022a_cuda_serial | 3.596194754000000e+01 | 7.341999999965765e-05 | 1.727529411756650e-03 | PASS |