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 | 8.788829163624999e+01 | 5.534649359621376e-07 | 8.788829192000000e+01 | 1.150000002780871e-06 | PASS |
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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-2022a_serial_opt | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_serial | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_foss-2022a_ppc | 8.788829077000000e+01 | -9.600000083764826e-07 | -6.808510697705550e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2023a_mpi_min | 8.788829179000000e+01 | 5.999999075356754e-08 | 4.255318493160819e-03 | PASS |
| spack_foss-2022a_mpi_opt | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.788829204000000e+01 | 3.099999901223782e-07 | 2.198581490229633e-02 | PASS |
| spack_intel-2022a_serial_omp | 8.788829177000000e+01 | 3.999998909876012e-08 | 2.836878659486534e-03 | PASS |
| spack_foss-2022a_mpi | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_intel-2023a_impi | 8.788829165999999e+01 | -7.000001289725333e-08 | -4.964539921791016e-03 | PASS |
| spack_foss-2022a_mpi_debug | 8.788829105000001e+01 | -6.799999994200334e-07 | -4.822695031347755e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.788829167000000e+01 | -6.000000496442226e-08 | -4.255319501022855e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.788829161000000e+01 | -1.200000099288445e-07 | -8.510639002045709e-03 | PASS |
| spack_intel-2022a_impi_omp | 8.788829307000000e+01 | 1.339999997185259e-06 | 9.503546079328080e-02 | PASS |