Match comparison for Hartree energy (match type 28834)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.647640595000000e+01 | 1.320000000000000e-02 | 1.648736499370370e+01 | 4.506356750771450e-03 | 1.647633543000000e+01 | 1.194665000000050e-02 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 16.47640595, precision: 0.0132| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.648807804000000e+01 | 1.167209000000113e-02 | 8.842492424243283e-01 | PASS |
| spack_foss-2022a_ppc | 1.648805752000000e+01 | 1.165157000000150e-02 | 8.826946969698105e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2023a_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2023a_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.646438878000000e+01 | -1.201717000000002e-02 | -9.103916666666683e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2023a_serial_min | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.648821013000000e+01 | 1.180417999999861e-02 | 8.942560606059553e-01 | PASS |
| spack_foss-2023b_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.648825451000000e+01 | 1.184856000000067e-02 | 8.976181818182329e-01 | PASS |
| spack_intel-2023a_serial | 1.648828208000000e+01 | 1.187613000000098e-02 | 8.997068181818927e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.648819035000000e+01 | 1.178439999999981e-02 | 8.927575757575611e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.648821563000000e+01 | 1.180967999999893e-02 | 8.946727272726466e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.648823241000000e+01 | 1.182645999999821e-02 | 8.959439393938036e-01 | PASS |
| spack_intel-2023a_impi | 1.648827358000000e+01 | 1.186763000000113e-02 | 8.990628787879642e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |