Match comparison for Hartree energy (match type 30882)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.827684844000001e+01 | 3.660000000000000e-06 | 6.827684850966668e+01 | 1.010997802545801e-06 | 6.827684879500001e+01 | 1.535000002661491e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 68.27684844000001, precision: 0.00000366| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 6.827684961000000e+01 | 1.169999990224824e-06 | 3.196721284767278e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 6.827684961000000e+01 | 1.169999990224824e-06 | 3.196721284767278e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 6.827684961000000e+01 | 1.169999990224824e-06 | 3.196721284767278e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 6.827684961000000e+01 | 1.169999990224824e-06 | 3.196721284767278e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 6.827684759000000e+01 | -8.500000063804691e-07 | -2.322404389017675e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 6.827684985000000e+01 | 1.409999995871658e-06 | 3.852459005113820e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 6.827684985000000e+01 | 1.409999995871658e-06 | 3.852459005113820e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 6.827684985000000e+01 | 1.409999995871658e-06 | 3.852459005113820e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 6.827684871000000e+01 | 2.699999868127634e-07 | 7.377048820020857e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 6.827684945000000e+01 | 1.009999991197219e-06 | 2.759562817478741e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 6.827684985000000e+01 | 1.409999995871658e-06 | 3.852459005113820e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 6.827684735000000e+01 | -1.090000012027303e-06 | -2.978142109364217e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 6.827684757000000e+01 | -8.700000080352766e-07 | -2.377049202282176e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 6.827684850000000e+01 | 5.999999075356754e-08 | 1.639344009660315e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 6.827684747000001e+01 | -9.700000020984589e-07 | -2.650273229777210e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 6.827684791000000e+01 | -5.300000083252598e-07 | -1.448087454440601e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 6.827684988000000e+01 | 1.439999991248442e-06 | 3.934426205596835e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 6.827684803000000e+01 | -4.100000126072700e-07 | -1.120218613681066e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 6.827685033000000e+01 | 1.889999992954472e-06 | 5.163934406979431e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 6.827684726000000e+01 | -1.180000012368509e-06 | -3.224043749640736e-01 | PASS |