Match comparison for Total energy (match type 30492)

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216909235294e+02 1.798995894420060e-05 -3.184216680150000e+02 4.617499999426400e-05 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: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184216948100000e+02 -5.405000024438777e-06 -7.274562617010467e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184216933400000e+02 -3.934999995180988e-06 -5.296096897955569e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss-serial-min: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss-serial-min: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss-serial-min: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss-opt-full: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -1.954912514565693e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184216967800000e+02 -7.374999995590770e-06 -9.925975767955275e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216952300000e+02 -5.825000016557169e-06 -7.839838514881789e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216955400000e+02 -6.134999978257838e-06 -8.257065919593322e-02 PASS
foss-omp-full: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216905400000e+02 -1.134999990881624e-06 -1.527590835641486e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216889500000e+02 4.550000198833004e-07 6.123822609465685e-03 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss-mpi-min: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184217141900000e+02 -2.478499999369888e-05 -3.335800806688947e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216892000000e+02 2.049999920927803e-07 2.759084684963396e-03 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216951600000e+02 -5.755000017870771e-06 -7.745625865236569e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216910700000e+02 -1.665000013417739e-06 -2.240915226672596e-02 PASS