Match comparison for Hartree energy (match type 30494)

Commits > Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 4.670000000000000e-05 3.988936993606471e+03 1.319788995290335e-05 3.988936976770000e+03 2.712000014071236e-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] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.988936993870000e+03 6.469999789260328e-06 1.385438927036473e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.988936980750000e+03 -6.650000159424962e-06 -1.423982903517123e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 3.192719413995607e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 1.950749381111558e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937000280000e+03 1.287999975829734e-05 2.758029926830267e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 3.460385360124589e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -2.211991509683660e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 3.468950677411811e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.988937000560000e+03 1.315999952566926e-05 2.817987050464510e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988936949650000e+03 -3.775000050154631e-05 -8.083511884699425e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003390000e+03 1.598999961061054e-05 3.423982785997974e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937001330000e+03 1.392999956806307e-05 2.982869286523141e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937000600000e+03 1.319999955740059e-05 2.826552367751732e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003460000e+03 1.605999977982719e-05 3.438972115594688e-01 PASS
foss-serial-min: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss-serial-min: [foss2023a-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: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-opt-full: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -2.867237746586417e-01 PASS
foss-serial-debug: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 2.629550264898251e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937001960000e+03 1.455999972677091e-05 3.117772960764649e-01 PASS
foss-omp-full: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -3.329764490591151e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937003160000e+03 1.575999976921594e-05 3.374732284628681e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003890000e+03 1.648999977987842e-05 3.531049203400090e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003680000e+03 1.627999972697580e-05 3.486081311986253e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988937001000000e+03 1.359999941996648e-05 2.912205443247640e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 2.460385321507857e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003640000e+03 1.623999969524448e-05 3.477515994699032e-01 PASS