Match comparison for Hartree energy (match type 26097)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.988936413230000e+03 | 2.750000000000000e-05 | 3.988936425365185e+03 | 2.022043988876422e-05 | 3.988936413150000e+03 | 2.487999995537393e-05 | PASS |
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Detailed information
Reference: 3988.9364132299997, precision: 0.0000275| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023b_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_ppc | 3.988936436950000e+03 | 2.372000017203391e-05 | 8.625454608012330e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936437010000e+03 | 2.378000044700457e-05 | 8.647272889819843e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936433950000e+03 | 2.072000006592134e-05 | 7.534545478516851e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936438000000e+03 | 2.477000043654698e-05 | 9.007272886017084e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936437480000e+03 | 2.425000047878711e-05 | 8.818181992286224e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936437700000e+03 | 2.447000042593572e-05 | 8.898181973067535e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936433710000e+03 | 2.048000033028075e-05 | 7.447272847374816e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936417330000e+03 | 4.100000296602957e-06 | 1.490909198764712e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936437460000e+03 | 2.423000023554778e-05 | 8.810909176562828e-01 | PASS |
| spack_intel-2023a_serial | 3.988936431460000e+03 | 1.823000047807000e-05 | 6.629091082934544e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936436640000e+03 | 2.341000026717666e-05 | 8.512727369882420e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.988936436820000e+03 | 2.359000018259394e-05 | 8.578181884579614e-01 | PASS |
| spack_intel-2023a_impi | 3.988936437820000e+03 | 2.459000006638234e-05 | 8.941818205957216e-01 | PASS |