Match comparison for Hartree energy (match type 30494)

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936995306875e+03 1.128411696896753e-05 3.988936987835000e+03 1.598499989086122e-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-full] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988937003510000e+03 1.610999970580451e-05 3.449678737859639e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-min: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-serial-min: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000650000e+03 1.324999948337791e-05 2.837258990016682e-01 PASS
foss-serial-full: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-opt-full: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
intel-serial: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss-serial-full: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937002670000e+03 1.526999949419405e-05 3.269807172204294e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss-ppc: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003540000e+03 1.613999984328984e-05 3.456102750169132e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.988937003020000e+03 1.561999943078263e-05 3.344753625435252e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
foss-mpi-full: [foss2023a-mpi] 3.988937003820000e+03 1.641999961066176e-05 3.516059873803375e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003670000e+03 1.626999983272981e-05 3.483940007008525e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937003590000e+03 1.618999976926716e-05 3.466809372434081e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 3.988937000860000e+03 1.345999953628052e-05 2.882226881430519e-01 PASS
foss-mpi-min: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.988937001400000e+03 1.399999973727972e-05 2.997858616119855e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003660000e+03 1.625999948373646e-05 3.481798604654490e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003290000e+03 1.588999975865590e-05 3.402569541468074e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS