Match comparison for Hartree energy (match type 27132)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.788829173000001e+01 | 1.410000000000000e-05 | 8.788829134222223e+01 | 7.915869349115837e-07 | 8.788829095500000e+01 | 2.115000000912914e-06 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 87.88829173, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2023a_serial_min | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2023a_serial | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2022a_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2023a_serial_opt | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2023b_serial | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2022a_ppc | 8.788829077000000e+01 | -9.600000083764826e-07 | -6.808510697705550e-02 | PASS |
| spack_foss-2023a_mpi_min | 8.788829179000000e+01 | 5.999999075356754e-08 | 4.255318493160819e-03 | PASS |
| spack_foss-2022a_mpi_min | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2023a_serial_debug | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2023a_mpi_opt | 8.788829179000000e+01 | 5.999999075356754e-08 | 4.255318493160819e-03 | PASS |
| spack_foss-2022a_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2023a_mpi | 8.788829179000000e+01 | 5.999999075356754e-08 | 4.255318493160819e-03 | PASS |
| cmake_foss_2022a_full_mpi | 8.788829059000000e+01 | -1.140000009058895e-06 | -8.085106447226204e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.788828977000000e+01 | -1.960000005851725e-06 | -1.390070926135975e-01 | PASS |
| spack_foss-2023a_mpi_debug | 8.788829179000000e+01 | 5.999999075356754e-08 | 4.255318493160819e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.788829155000001e+01 | -1.800000006824121e-07 | -1.276595749520653e-02 | PASS |
| spack_foss-2023a_mpi_omp | 8.788829072999999e+01 | -1.000000011686097e-06 | -7.092198664440406e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| cmake_foss_2022a_full_serial | 8.788829044000001e+01 | -1.290000000153668e-06 | -9.148936171302612e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_intel-2023a_serial | 8.788829174000000e+01 | 9.999993721976352e-09 | 7.092194129061243e-04 | PASS |
| spack_intel-2022a_serial_omp | 8.788829177000000e+01 | 3.999998909876012e-08 | 2.836878659486534e-03 | PASS |
| spack_intel-2023a_serial_omp | 8.788828884000000e+01 | -2.890000004640569e-06 | -2.049645393362106e-01 | PASS |
| spack_intel-2023a_impi | 8.788829165999999e+01 | -7.000001289725333e-08 | -4.964539921791016e-03 | PASS |
| spack_intel-2022a_impi_omp | 8.788829307000000e+01 | 1.339999997185259e-06 | 9.503546079328080e-02 | PASS |