Match comparison for Kinetic energy (match type 12056)

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.253708492800000e+02 1.270000000000000e-05 2.253708495751852e+02 2.295129097477147e-06 2.253708501750000e+02 3.535000004717403e-06 PASS

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Detailed information

Reference: 225.37084928000002, precision: 0.0000127
Run Value Difference Relative difference Status
spack_foss-2023a_mpi_debug 2.253708487100000e+02 -5.700000258457294e-07 -4.488189179887633e-02 PASS
spack_foss-2023a_mpi_omp 2.253708489500000e+02 -3.300000059880404e-07 -2.598425244000318e-02 PASS
cmake_foss_2022a_min_serial 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
cmake_foss_2022a_full_serial 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
cmake_foss_2022a_min_mpi 2.253708483200000e+02 -9.600000225873373e-07 -7.559055295963285e-02 PASS
cmake_foss_2022a_full_mpi 2.253708466400000e+02 -2.640000019482613e-06 -2.078740172820955e-01 PASS
spack_intel-2023a_serial 2.253708504300000e+02 1.149999974359162e-06 9.055117908339855e-02 PASS
spack_intel-2022a_impi_omp 2.253708491200000e+02 -1.600000132384594e-07 -1.259842623924877e-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 2.253708484700000e+02 -8.100000172817090e-07 -6.377952891981961e-02 PASS
spack_foss-2022a_cuda_mpi_omp 2.253708479900000e+02 -1.290000028575378e-06 -1.015748053996360e-01 PASS
spack_foss-2022a_serial_min 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_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
spack_foss-2023a_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 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-2022a_ppc 2.253708477800000e+02 -1.500000024634573e-06 -1.181102381602026e-01 PASS
spack_foss-2022a_cuda_serial 2.253708480400000e+02 -1.240000017332932e-06 -9.763779664038832e-02 PASS
spack_foss-2023a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
spack_foss-2022a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
spack_foss-2023a_serial_omp 2.253708482400000e+02 -1.040000029206567e-06 -8.188976607925724e-02 PASS
spack_foss-2023a_serial_debug 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_mpi_opt 2.253708491200000e+02 -1.600000132384594e-07 -1.259842623924877e-02 PASS
spack_foss-2022a_mpi 2.253708487600000e+02 -5.200000146032835e-07 -4.094488303962862e-02 PASS
spack_foss-2023a_mpi 2.253708482500000e+02 -1.030000021273736e-06 -8.110236387982173e-02 PASS