Match comparison for Total energy (match type 30066)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.245067410800000e+02 9.530000000000000e-06 -3.245067411440741e+02 4.390725094853326e-08 -3.245067410800000e+02 1.399999973727972e-07 PASS
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Detailed information

Reference: -324.50674108, precision: 0.00000953
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2022a_serial_min -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2022a_ppc -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_serial -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_serial -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_serial_opt -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023b_serial -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_mpi_min -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_mpi_min -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_serial_omp -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_mpi -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_mpi_opt -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_serial_debug -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_mpi -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_intel_autotools: [intel2023a-serial] -3.245067411600000e+02 -8.000000661922968e-08 -8.394544241262295e-03 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.245067412200000e+02 -1.399999973727972e-07 -1.469045093103853e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.245067409400000e+02 1.399999973727972e-07 1.469045093103853e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_cuda_mpi_omp -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_mpi_debug -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_autotools: [foss2023a-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_autotools: [foss2023b-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_autotools: [foss2022a-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_mpi_omp -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
cmake_foss_2022a_min_serial -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
cmake_foss_2022a_full_serial -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
cmake_foss_2022a_min_mpi -3.245067411900000e+02 -1.100000304177229e-07 -1.154250056849138e-02 PASS
spack_intel-2022a_impi_omp -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
cmake_foss_2022a_full_mpi -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_intel-2023a_serial -3.245067411600000e+02 -8.000000661922968e-08 -8.394544241262295e-03 PASS
spack_intel-2022a_serial_omp -3.245067409400000e+02 1.399999973727972e-07 1.469045093103853e-02 PASS
spack_intel-2023a_impi -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_cuda_serial -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.245067412000000e+02 -1.200000383505540e-07 -1.259181934423441e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS