Match comparison for Kinetic energy (match type 30219)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.253718767400000e+02 3.830000000000000e-06 2.253718765010526e+02 2.024502263873382e-06 2.253718732100000e+02 5.529999995701473e-06 FAIL

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Detailed information

Reference: 225.37187674, precision: 0.00000383
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] 2.253718753900000e+02 -1.349999990907236e-06 -3.524804153804794e-01 PASS
cmake_foss_2022a_full_serial 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
spack_foss-2022a_ppc 2.253718753900000e+02 -1.349999990907236e-06 -3.524804153804794e-01 PASS
spack_foss-2023a_serial_opt 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
cmake_foss_2022a_min_serial 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
cmake_foss_2022a_min_mpi 2.253718769300000e+02 1.900000086152431e-07 4.960835734079456e-02 PASS
cmake_foss_2022a_full_mpi 2.253718769900000e+02 2.499999993688107e-07 6.527415127122994e-02 PASS
spack_foss-2022a_mpi 2.253718784200000e+02 1.679999996895276e-06 4.386422968394977e-01 PASS
spack_foss-2022a_mpi_min 2.253718758000000e+02 -9.400000067216752e-07 -2.454308111544844e-01 PASS
spack_foss-2022a_serial 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2022a_serial_min 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_serial 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_mpi_min 2.253718758000000e+02 -9.400000067216752e-07 -2.454308111544844e-01 PASS
spack_foss-2023a_mpi 2.253718753100000e+02 -1.429999997526465e-06 -3.733681455682678e-01 PASS
spack_foss-2023a_serial_min 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_mpi_opt 2.253718785200000e+02 1.779999990958459e-06 4.647519558638273e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_serial_debug 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023b_serial 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_serial_omp 2.253718779800000e+02 1.239999988911222e-06 3.237597882274732e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 2.253718779800000e+02 1.239999988911222e-06 3.237597882274732e-01 PASS
spack_foss-2023a_mpi_debug 2.253718769400000e+02 1.999999881263648e-07 5.221931804865921e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_intel-2022a_serial_omp 2.253718756900000e+02 -1.050000008717689e-06 -2.741514383074905e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_mpi_omp 2.253718765100000e+02 -2.300000119248580e-07 -6.005222243468877e-02 PASS
spack_intel-2023a_serial 2.253718752600000e+02 -1.480000008768911e-06 -3.864229787908385e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 2.253718758400000e+02 -9.000000034120603e-07 -2.349869460605902e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 2.253718752600000e+02 -1.480000008768911e-06 -3.864229787908385e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 2.253718756900000e+02 -1.050000008717689e-06 -2.741514383074905e-01 PASS
spack_intel-2023a_impi 2.253718775100000e+02 7.699999855503847e-07 2.010443826502310e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 2.253718780500000e+02 1.309999987597621e-06 3.420365502865851e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 2.253718764600000e+02 -2.799999947455944e-07 -7.310704823644765e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 2.253718758900000e+02 -8.499999921696144e-07 -2.219321128380194e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 2.253718676800000e+02 -9.059999996452461e-06 -2.365535247115525e+00 FAIL
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 2.253718676800000e+02 -9.059999996452461e-06 -2.365535247115525e+00 FAIL
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 2.253718762500000e+02 -4.899999908047903e-07 -1.279373344137834e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 2.253718756200000e+02 -1.120000007404087e-06 -2.924282003666024e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 2.253718762000000e+02 -5.400000020472362e-07 -1.409921676363541e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 2.253718759600000e+02 -7.799999934832158e-07 -2.036553507789075e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 2.253718756700000e+02 -1.069999996161641e-06 -2.793733671440317e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 2.253718762900000e+02 -4.500000159168849e-07 -1.174934767407010e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 2.253718758300000e+02 -9.100000113448914e-07 -2.375979141892667e-01 PASS
spack_intel-2023a_serial_omp 2.253718780500000e+02 1.309999987597621e-06 3.420365502865851e-01 PASS
spack_intel-2022a_impi_omp 2.253718761000000e+02 -6.399999961104186e-07 -1.671018266606837e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.253718763700000e+02 -3.700000092976552e-07 -9.660574655291260e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 2.253718757000000e+02 -1.040000000784858e-06 -2.715404701788140e-01 PASS
spack_foss-2022a_cuda_serial 2.253718747500000e+02 -1.990000015439364e-06 -5.195822494619750e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 2.253718747500000e+02 -1.990000015439364e-06 -5.195822494619750e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.253718759300000e+02 -8.100000172817090e-07 -2.114882551649371e-01 PASS