Match comparison for Hartree energy (match type 29833)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.236158373600000e+02 | 8.630000000000000e-07 | -5.236158371635713e+02 | 2.534506685824077e-07 | -5.236158372800001e+02 | 5.899999564462632e-07 | PASS |
Checks for this match
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Detailed information
Reference: -523.61583736, precision: 0.000000863| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_serial_min | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_serial | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_serial | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023b_serial | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_ppc | -5.236158372899999e+02 | 7.000005552981747e-08 | 8.111246295459730e-02 | PASS |
| spack_foss-2023a_mpi_min | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.236158373200000e+02 | 4.000003173132427e-08 | 4.634997883119846e-02 | PASS |
| spack_foss-2023a_serial_omp | -5.236158377400000e+02 | -3.799999603870674e-07 | -4.403244036930097e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_mpi | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_mpi | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2023a_mpi_debug | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.236158378700000e+02 | -5.099999498270336e-07 | -5.909617031599461e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.236158377300000e+02 | -3.699999524542363e-07 | -4.287369089852101e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.236158370300000e+02 | 3.300000344097498e-07 | 3.823870618884702e-01 | PASS |
| spack_intel-2023a_serial | -5.236158372500000e+02 | 1.099999735743040e-07 | 1.274623100513372e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.236158373000000e+02 | 6.000004759698641e-08 | 6.952496824679769e-02 | PASS |
| spack_intel-2022a_impi_omp | -5.236158373000000e+02 | 6.000004759698641e-08 | 6.952496824679769e-02 | PASS |
| spack_intel-2023a_serial_omp | -5.236158373200000e+02 | 4.000003173132427e-08 | 4.634997883119846e-02 | PASS |
| spack_intel-2023a_impi | -5.236158372600000e+02 | 9.999996564147295e-08 | 1.158748153435376e-01 | PASS |
| spack_foss-2023a_valgrind | -5.236158366900000e+02 | 6.699999630654929e-07 | 7.763614867502815e-01 | PASS |