Match comparison for Total energy (match type 30066)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.245067410800000e+02 9.530000000000000e-06 -3.245067411407407e+02 5.248816223718853e-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
cmake_foss_2022a_full_serial -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2022a_ppc -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_min_mpi -3.245067410000000e+02 8.000000661922968e-08 8.394544241262295e-03 PASS
cmake_foss_2022a_full_mpi -3.245067411500000e+02 -6.999999868639861e-08 -7.345225465519267e-03 PASS
spack_foss-2022a_mpi_min -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-2022a_serial -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-2023a_mpi -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_mpi_min -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_foss-2023a_serial_min -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_mpi_opt -3.245067411800000e+02 -1.000000224848918e-07 -1.049318179274835e-02 PASS
spack_foss-2023a_mpi_debug -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_serial_debug -3.245067411700000e+02 -9.000001455206075e-08 -9.443863017005324e-03 PASS
spack_foss-2023a_serial_omp -3.245067411400000e+02 -5.999999075356754e-08 -6.295906689776237e-03 PASS
spack_intel-2022a_serial_omp -3.245067409400000e+02 1.399999973727972e-07 1.469045093103853e-02 PASS
spack_foss-2023a_mpi_omp -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-2023a_impi -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_intel-2023a_serial_omp -3.245067412200000e+02 -1.399999973727972e-07 -1.469045093103853e-02 PASS
spack_intel-2022a_impi_omp -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