Match comparison for Hartree energy (match type 30592)

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 4.100000000000000e-05 3.954895867837187e+03 1.540458991575258e-06 3.954895871880000e+03 4.529999841906829e-06 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 3954.89586866, precision: 0.000041
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.954895867560000e+03 -1.099999735743040e-06 -2.682926184739122e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.954895867560000e+03 -1.099999735743040e-06 -2.682926184739122e-02 PASS
foss-ppc: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.954895867610000e+03 -1.049999809765723e-06 -2.560975145770055e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-serial-full: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss-serial-full: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.309999788645655e-06 -3.195121435721109e-02 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -2.634146212807448e-02 PASS
foss-serial-min: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss-serial-debug: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss-serial-min: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss-serial-min: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss-opt-full: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel-serial: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -2.609756226841610e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-omp-full: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss-mpi-full: [foss2023a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.954895876410000e+03 7.749999895168003e-06 1.890243876870245e-01 PASS
foss-mpi-min: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-mpi-debug: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-mpi-min: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS