Match comparison for Kinetic energy (match type 12056)

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.253708492800000e+02 1.270000000000000e-05 2.253708496988889e+02 2.208641840591468e-06 2.253708506200000e+02 3.090000006977789e-06 PASS

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Detailed information

Reference: 225.37084928000002, precision: 0.0000127
Run Value Difference Relative difference Status
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
spack_foss-2022a_serial_min 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
cmake_foss_2022a_min_mpi 2.253708490400000e+02 -2.400000198576890e-07 -1.889763935887315e-02 PASS
spack_foss-2022a_ppc 2.253708477800000e+02 -1.500000024634573e-06 -1.181102381602026e-01 PASS
spack_foss-2022a_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
cmake_foss_2022a_full_mpi 2.253708487100000e+02 -5.700000258457294e-07 -4.488189179887633e-02 PASS
spack_foss-2022a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
spack_foss-2022a_mpi 2.253708492700000e+02 -1.000000793283107e-08 -7.874021994355171e-04 PASS
spack_foss-2023a_mpi 2.253708483600000e+02 -9.200000192777225e-07 -7.244094639982067e-02 PASS
spack_foss-2023a_mpi_min 2.253708483500000e+02 -9.300000272105535e-07 -7.322834859925619e-02 PASS
spack_foss-2023a_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2023a_mpi_opt 2.253708482200000e+02 -1.060000016650520e-06 -8.346456824019839e-02 PASS
spack_foss-2023a_mpi_debug 2.253708492000000e+02 -8.000000661922968e-08 -6.299213119624384e-03 PASS
spack_foss-2023a_serial_debug 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_cuda_serial 2.253708480400000e+02 -1.240000017332932e-06 -9.763779664038832e-02 PASS
spack_foss-2023a_mpi_omp 2.253708484900000e+02 -7.900000298377563e-07 -6.220472675887845e-02 PASS
spack_foss-2023a_serial_opt 2.253708482700000e+02 -1.010000005408074e-06 -7.952755948095069e-02 PASS
spack_foss-2023a_serial_omp 2.253708482400000e+02 -1.040000029206567e-06 -8.188976607925724e-02 PASS
spack_foss-2023b_serial 2.253708537100000e+02 4.429999989952194e-06 3.488188968466294e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.253708490200000e+02 -2.600000073016417e-07 -2.047244151981431e-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 2.253708489300000e+02 -3.500000218537025e-07 -2.755905683887421e-02 PASS
spack_intel-2022a_impi_omp 2.253708484300000e+02 -8.500000205913238e-07 -6.692913547963179e-02 PASS