Match comparison for Total energy (match type 30492)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216908179999e+02 1.883646222934872e-05 -3.184216636750000e+02 4.183499999044216e-05 PASS

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Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_min_autotools: [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_min_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_min_autotools: [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: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_opt_autotools: [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-min-mpi] -3.184216948000000e+02 -5.395000016505946e-06 -7.261103656131825e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216914700000e+02 -2.064999989670468e-06 -2.779273202786633e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184216955100000e+02 -6.105000011302764e-06 -8.216689113462669e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184217035500000e+02 -1.414500002283603e-05 -1.903768509130017e-01 PASS
foss_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216972100000e+02 -7.804999995641992e-06 -1.050471062670524e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216956900000e+02 -6.284999983563466e-06 -8.458950179762403e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216953600000e+02 -5.955000005997135e-06 -8.014804853293586e-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_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216935700000e+02 -4.165000007105846e-06 -5.605652768648513e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216951200000e+02 -5.714999986139446e-06 -7.691790021722000e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216951800000e+02 -5.774999976893014e-06 -7.772543710488578e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216952400000e+02 -5.835000024490000e-06 -7.853297475760430e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216953400000e+02 -5.934999990131473e-06 -7.987886931536303e-02 PASS