Match comparison for Kinetic energy (match type 12056)

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.253708492800000e+02 1.270000000000000e-05 2.253708494866667e+02 2.492710857915678e-06 2.253708486500000e+02 5.060000006551491e-06 PASS
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Detailed information

Reference: 225.37084928000002, precision: 0.0000127
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2022a_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
cmake_foss_2022a_full_serial 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
cmake_foss_2022a_min_serial 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
spack_foss-2022a_ppc 2.253708477800000e+02 -1.500000024634573e-06 -1.181102381602026e-01 PASS
spack_foss-2023a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
cmake_foss_2022a_min_mpi 2.253708490400000e+02 -2.400000198576890e-07 -1.889763935887315e-02 PASS
cmake_foss_2022a_full_mpi 2.253708489000000e+02 -3.800000172304863e-07 -2.992126119925089e-02 PASS
spack_foss-2022a_cuda_serial 2.253708480400000e+02 -1.240000017332932e-06 -9.763779664038832e-02 PASS
spack_foss-2023a_mpi 2.253708489700000e+02 -3.100000185440877e-07 -2.440945027906202e-02 PASS
spack_foss-2022a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
spack_foss-2022a_cuda_mpi_omp 2.253708481900000e+02 -1.090000012027303e-06 -8.582677260057507e-02 PASS
spack_foss-2022a_mpi 2.253708488800000e+02 -4.000000046744390e-07 -3.149606336019204e-02 PASS
spack_foss-2023a_mpi_debug 2.253708486400000e+02 -6.400000245321280e-07 -5.039370271906519e-02 PASS
spack_foss-2023a_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_mpi_opt 2.253708482300000e+02 -1.050000008717689e-06 -8.267716604076288e-02 PASS
spack_foss-2023a_serial_min 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_serial_debug 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_mpi_omp 2.253708483800000e+02 -9.000000034120603e-07 -7.086614200094964e-02 PASS
spack_foss-2023a_serial_opt 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
spack_foss-2023b_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_serial_omp 2.253708482400000e+02 -1.040000029206567e-06 -8.188976607925724e-02 PASS
spack_intel-2023a_serial 2.253708504300000e+02 1.149999974359162e-06 9.055117908339855e-02 PASS
spack_intel-2022a_serial_omp 2.253708484100000e+02 -8.700000080352766e-07 -6.850393764057296e-02 PASS
spack_intel-2023a_serial_omp 2.253708475300000e+02 -1.750000024003384e-06 -1.377952774805814e-01 PASS
spack_intel-2023a_impi 2.253708435900000e+02 -5.690000023150787e-06 -4.480314978858888e-01 PASS
spack_intel-2022a_impi_omp 2.253708491200000e+02 -1.600000132384594e-07 -1.259842623924877e-02 PASS