Match comparison for Hartree energy (match type 30359)

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788829083906251e+01 1.049092939942207e-06 8.788829043500000e+01 2.025000000571708e-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-full] 8.788828976000001e+01 -1.969999999573702e-06 -1.397163120265037e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 8.788828986000000e+01 -1.870000005510519e-06 -1.326241138659943e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 8.788829165999999e+01 -7.000001289725333e-08 -4.964539921791016e-03 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 8.788829174999999e+01 1.999998744395270e-08 1.418438825812249e-03 PASS
foss-serial-min: [foss2023a-serial] 8.788828841000000e+01 -3.320000004691792e-06 -2.354609932405526e-01 PASS
foss-serial-min: [foss2022a-serial] 8.788829099000000e+01 -7.400000043844557e-07 -5.248226981450040e-02 PASS
foss-serial-min: [foss2023b-serial] 8.788828841000000e+01 -3.320000004691792e-06 -2.354609932405526e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 8.788829099000000e+01 -7.400000043844557e-07 -5.248226981450040e-02 PASS
foss-serial-full: [foss2023a-serial] 8.788829020999999e+01 -1.520000012078526e-06 -1.078014192963494e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 8.788829187000000e+01 1.399999973727972e-07 9.929077827857959e-03 PASS
foss-serial-full: [foss2023b-serial] 8.788829020999999e+01 -1.520000012078526e-06 -1.078014192963494e-01 PASS
foss-opt-full: [foss2023a-serial] 8.788829020999999e+01 -1.520000012078526e-06 -1.078014192963494e-01 PASS
intel-serial: [intel2023a-serial] 8.788829135000000e+01 -3.800000030196315e-07 -2.695035482408734e-02 PASS
foss-serial-debug: [foss2023a-serial] 8.788828841000000e+01 -3.320000004691792e-06 -2.354609932405526e-01 PASS
foss-ppc: [foss2022a-serial] 8.788829104000000e+01 -6.900000073528645e-07 -4.893617073424571e-02 PASS
intel-omp: [intel2023a-serial] 8.788829126000000e+01 -4.700000033608376e-07 -3.333333357169060e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 8.788829081000000e+01 -9.200000050668677e-07 -6.524822730970693e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] 8.788829106000000e+01 -6.700000056980571e-07 -4.751773090057142e-02 PASS
foss-omp-full: [foss2023a-serial] 8.788829072999999e+01 -1.000000011686097e-06 -7.092198664440406e-02 PASS
intel-omp: [intel2022a-serial] 8.788829144000000e+01 -2.900000026784255e-07 -2.056737607648408e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 8.788829106000000e+01 -6.700000056980571e-07 -4.751773090057142e-02 PASS
foss-mpi-full: [foss2023a-mpi] 8.788829106000000e+01 -6.700000056980571e-07 -4.751773090057142e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 8.788829246000000e+01 7.299999964516246e-07 5.177304939373224e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 8.788829160000000e+01 -1.300000036508209e-07 -9.219858414951834e-03 PASS
intel_mpi_autotools: [intel2023a-mpi] 8.788829191000001e+01 1.800000006824121e-07 1.276595749520653e-02 PASS
foss-mpi-min: [foss2022a-mpi] 8.788829246000000e+01 7.299999964516246e-07 5.177304939373224e-02 PASS
foss-mpi-min: [foss2023a-mpi] 8.788829160000000e+01 -1.300000036508209e-07 -9.219858414951834e-03 PASS
foss-mpi-omp-full: [foss2023a-mpi] 8.788829128000000e+01 -4.500000017060302e-07 -3.191489373801632e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 8.788829036000000e+01 -1.370000006772898e-06 -9.716312104772325e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 8.788829147000000e+01 -2.600000073016417e-07 -1.843971682990367e-02 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 8.788828956000000e+01 -2.170000001910921e-06 -1.539007093553845e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 8.788829160000000e+01 -1.300000036508209e-07 -9.219858414951834e-03 PASS