Match comparison for Hartree energy (match type 30494)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936995717812e+03 1.162215463889999e-05 3.988936988580000e+03 1.529999985905306e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.0000467
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.988936992670000e+03 5.269999746815301e-06 1.128479603172441e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.988936992670000e+03 5.269999746815301e-06 1.128479603172441e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937002150000e+03 1.474999953643419e-05 3.158458144846721e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss-serial-min: [foss2023b-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss-serial-min: [foss2023a-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss-serial-full: [foss2023a-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss-opt-full: [foss2023a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
intel-serial: [intel2023a-serial] 3.988937003310000e+03 1.590999954714789e-05 3.406852151423531e-01 PASS
foss-serial-full: [foss2023b-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988937001850000e+03 1.444999952582293e-05 3.094218313880714e-01 PASS
foss-ppc: [foss2022a-serial] 3.988936998910000e+03 1.150999969468103e-05 2.464668028839621e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936973280000e+03 -1.412000028722105e-05 -3.023554665357826e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003520000e+03 1.611999960005051e-05 3.451820042837367e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003630000e+03 1.622999980099848e-05 3.475374689721303e-01 PASS
intel-omp: [intel2023a-serial] 3.988937003530000e+03 1.612999949429650e-05 3.453961347815097e-01 PASS
intel-omp: [intel2022a-serial] 3.988937003730000e+03 1.632999965295312e-05 3.496787934251204e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936981880000e+03 -5.520000286196591e-06 -1.182012909249806e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.988937003640000e+03 1.623999969524448e-05 3.477515994699032e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988937002670000e+03 1.526999949419405e-05 3.269807172204294e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937001510000e+03 1.410999948348035e-05 3.021413165627485e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937001510000e+03 1.410999948348035e-05 3.021413165627485e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.988937001750000e+03 1.434999967386830e-05 3.072805069350813e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988936998750000e+03 1.134999956775573e-05 2.430406759690735e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.988937000460000e+03 1.305999967371463e-05 2.796573805934610e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.988937000460000e+03 1.305999967371463e-05 2.796573805934610e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.988937003150000e+03 1.574999942022259e-05 3.372590882274645e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003880000e+03 1.647999943088507e-05 3.528907801046055e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 3.988937003180000e+03 1.577999955770792e-05 3.379014894584138e-01 PASS