Match comparison for Hartree energy (match type 23242)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
2.212394640000000e+00 | 1.110000000000000e-07 | 2.212394653636363e+00 | 6.428243626094739e-09 | 2.212394650000000e+00 | 1.000000016126990e-08 | PASS |
Checks for this match
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Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.21239464, precision: 0.000000111Run | Value | Difference | Relative difference | Status |
intel-serial: [intel2023a-serial] | 2.212394660000000e+00 | 2.000000032253979e-08 | 1.801801830859441e-01 | PASS |
foss-serial: [foss2023a-serial] | 2.212394650000000e+00 | 9.999999939225290e-09 | 9.009008954257018e-02 | PASS |
foss-serial-debug: [foss2023a-serial] | 2.212394650000000e+00 | 9.999999939225290e-09 | 9.009008954257018e-02 | PASS |
ppc: [foss2023a-serial] | 2.212394640000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-parallel-debug: [foss2023a-mpi] | 2.212394650000000e+00 | 9.999999939225290e-09 | 9.009008954257018e-02 | PASS |
intel-parallel: [intel2023a-mpi] | 2.212394660000000e+00 | 2.000000032253979e-08 | 1.801801830859441e-01 | PASS |
foss-parallel: [foss2023a-mpi] | 2.212394650000000e+00 | 9.999999939225290e-09 | 9.009008954257018e-02 | PASS |
autotools_intel_mpi_omp: [intel2023a-mpi] | 2.212394660000000e+00 | 2.000000032253979e-08 | 1.801801830859441e-01 | PASS |
address-sanitizer: [foss2023a-serial, ci-foss-full] | 2.212394650000000e+00 | 9.999999939225290e-09 | 9.009008954257018e-02 | PASS |
intel-serial-debug: [intel2023a-serial] | 2.212394660000000e+00 | 2.000000032253979e-08 | 1.801801830859441e-01 | PASS |
intel-parallel-debug: [intel2023a-mpi] | 2.212394660000000e+00 | 2.000000032253979e-08 | 1.801801830859441e-01 | PASS |