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 | 1.648827595037037e+01 | 6.854153547371708e-05 | 1.648821780500000e+01 | 1.288850000005226e-04 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 16.47640595, precision: 0.0132| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2022a_ppc | 1.648833238000000e+01 | 1.192642999999904e-02 | 9.035174242423518e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2022a_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2022a_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2022a_serial_min | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_mpi | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_serial_min | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.648829886000000e+01 | 1.189291000000026e-02 | 9.009780303030497e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023b_serial | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.648830823000000e+01 | 1.190228000000104e-02 | 9.016878787879578e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.648808892000000e+01 | 1.168296999999896e-02 | 8.850734848484061e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.648810769000000e+01 | 1.170173999999946e-02 | 8.864954545454137e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.648819064000000e+01 | 1.178468999999893e-02 | 8.927795454544646e-01 | PASS |
| spack_intel-2023a_serial | 1.648829608000000e+01 | 1.189013000000116e-02 | 9.007674242425124e-01 | PASS |
| spack_intel-2023a_impi | 1.648829608000000e+01 | 1.189013000000116e-02 | 9.007674242425124e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.648834669000000e+01 | 1.194074000000001e-02 | 9.046015151515155e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.648828136000000e+01 | 1.187540999999825e-02 | 8.996522727271404e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.648809405000000e+01 | 1.168810000000065e-02 | 8.854621212121701e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.648825182000000e+01 | 1.184586999999837e-02 | 8.974143939392705e-01 | PASS |