Match comparison for Hartree energy (match type 30359)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788829011272728e+01 1.167912597466276e-06 8.788829029000000e+01 1.879999999232496e-06 PASS

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Detailed information

Reference: 87.88829173, precision: 0.0000141
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 8.788828986000000e+01 -1.870000005510519e-06 -1.326241138659943e-01 PASS
intel_autotools: [intel2023a-serial] 8.788828882999999e+01 -2.900000012573400e-06 -2.056737597569787e-01 PASS
intel_omp_autotools: [intel2023a-serial] 8.788829126000000e+01 -4.700000033608376e-07 -3.333333357169060e-02 PASS
foss-serial-full: [foss2023a-serial] 8.788829020999999e+01 -1.520000012078526e-06 -1.078014192963494e-01 PASS
foss-serial-min: [foss2023b-serial] 8.788828841000000e+01 -3.320000004691792e-06 -2.354609932405526e-01 PASS
foss-opt-full: [foss2023a-serial] 8.788829020999999e+01 -1.520000012078526e-06 -1.078014192963494e-01 PASS
foss-serial-min: [foss2022a-serial] 8.788829099000000e+01 -7.400000043844557e-07 -5.248226981450040e-02 PASS
foss-serial-min: [foss2023a-serial] 8.788828841000000e+01 -3.320000004691792e-06 -2.354609932405526e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 8.788828976000001e+01 -1.969999999573702e-06 -1.397163120265037e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] 8.788829217000000e+01 4.399999937731991e-07 3.120567331724816e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 8.788829113000000e+01 -6.000000070116585e-07 -4.255319198664244e-02 PASS