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 | 8.788829168210528e+01 | 1.255160206260376e-06 | 8.788829229500000e+01 | 3.454999998098174e-06 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: 87.88829173, precision: 0.0000141| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 8.788829077000000e+01 | -9.600000083764826e-07 | -6.808510697705550e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.788829575000000e+01 | 4.019999991555778e-06 | 2.851063823798424e-01 | PASS |
| spack_foss-2022a_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_serial_min | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_mpi_opt | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_serial_opt | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2023a_serial | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.788829206000000e+01 | 3.299999917771856e-07 | 2.340425473597061e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_foss-2022a_mpi_debug | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2023a_serial_min | 8.788829148000001e+01 | -2.499999993688107e-07 | -1.773049640913551e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.788829127000000e+01 | -4.600000096388612e-07 | -3.262411415878448e-02 | PASS |
| spack_intel-2023a_serial | 8.788829174000000e+01 | 9.999993721976352e-09 | 7.092194129061243e-04 | 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 |