Match comparison for Hartree energy (match type 30592)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 9.079999999999999e-06 3.954895867554118e+03 5.911688006805431e-08 3.954895867490000e+03 1.399998836859595e-07 PASS

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Detailed information

Reference: 3954.89586866, precision: 0.00000908
Run Value Difference Relative difference Status
intel-serial: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -1.178414155291917e-01 PASS
foss-serial: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
intel-min-parallel: [intel2022a-mpi] 3.954895867350000e+03 -1.309999788645655e-06 -1.442731044763937e-01 PASS
ppc: [foss2023a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss-parallel-debug: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
intel-parallel: [intel2023a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
foss-parallel: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss-min-parallel: [foss2023b-mpi] 3.954895867630000e+03 -1.030000021273736e-06 -1.134361256909401e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss-min-parallel: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
intel-serial-debug: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -1.178414155291917e-01 PASS
intel-parallel-debug: [intel2023a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS