Match comparison for Hartree energy (match type 12967)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 03-sodium_chain.03-ground_state_disp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.551473590000000e+00 2.280000000000000e-07 -4.551473598666665e+00 6.182412401301840e-09 -4.551473595000000e+00 1.500000035292715e-08 PASS
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Detailed information

Reference: -4.55147359, precision: 0.000000228
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_min_autotools: [foss2023a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_min_autotools: [foss2022a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_min_autotools: [foss2023b-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_autotools: [foss2022a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_autotools: [foss2023b-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
intel_autotools: [intel2023a-serial] -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_opt_autotools: [foss2023a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_omp_autotools: [foss2023a-serial] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
intel_omp_autotools: [intel2023a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
intel_omp_autotools: [intel2022a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_debug_autotools: [foss2023a-serial] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -4.551473580000000e+00 9.999999939225290e-09 4.385964885625127e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.551473590000000e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -4.551473610000000e+00 -2.000000076662900e-08 -8.771930160802192e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.551473600000000e+00 -9.999999939225290e-09 -4.385964885625127e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -4.551473580000000e+00 9.999999939225290e-09 4.385964885625127e-02 PASS