Match comparison for Kinetic energy (match type 30219)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.253718767400000e+02 3.830000000000000e-06 2.253718765503704e+02 2.095697499173169e-06 2.253718735450000e+02 5.864999991445075e-06 FAIL

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Detailed information

Reference: 225.37187674, precision: 0.00000383
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 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-2022a_ppc 2.253718753900000e+02 -1.349999990907236e-06 -3.524804153804794e-01 PASS
spack_foss-2022a_serial 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_serial_opt 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
spack_foss-2023b_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-2022a_mpi_min 2.253718758000000e+02 -9.400000067216752e-07 -2.454308111544844e-01 PASS
spack_foss-2023a_serial_omp 2.253718779800000e+02 1.239999988911222e-06 3.237597882274732e-01 PASS
spack_foss-2022a_mpi 2.253718767900000e+02 4.999998282073648e-08 1.305482580175887e-02 PASS
spack_foss-2023a_mpi_opt 2.253718770100000e+02 2.699999868127634e-07 7.049608010777113e-02 PASS
spack_foss-2023a_serial_debug 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_mpi 2.253718757800000e+02 -9.599999941656279e-07 -2.506527399910256e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 2.253718769700000e+02 2.299999835031485e-07 6.005221501387691e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 2.253718752600000e+02 -1.480000008768911e-06 -3.864229787908385e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 2.253718779800000e+02 1.239999988911222e-06 3.237597882274732e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 2.253718780500000e+02 1.309999987597621e-06 3.420365502865851e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 2.253718756900000e+02 -1.050000008717689e-06 -2.741514383074905e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 2.253718774600000e+02 7.200000027296483e-07 1.879895568484722e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 2.253718753900000e+02 -1.349999990907236e-06 -3.524804153804794e-01 PASS
spack_foss-2022a_cuda_mpi_omp 2.253718756900000e+02 -1.050000008717689e-06 -2.741514383074905e-01 PASS
spack_foss-2023a_mpi_debug 2.253718780200000e+02 1.279999992220837e-06 3.342036533213674e-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
GCI_foss_autotools: [foss2023a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 2.253718773600000e+02 6.200000086664659e-07 1.618798978241425e-01 PASS
spack_foss-2023a_mpi_omp 2.253718754300000e+02 -1.310000016019330e-06 -3.420365577073970e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 2.253718676800000e+02 -9.059999996452461e-06 -2.365535247115525e+00 FAIL
GCI_foss_mpi_autotools: [foss2022a-mpi] 2.253718766300000e+02 -1.100000019960135e-07 -2.872062715300612e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 2.253718676800000e+02 -9.059999996452461e-06 -2.365535247115525e+00 FAIL
GCI_foss_mpi_autotools: [foss2023a-mpi] 2.253718767600000e+02 1.999998744395270e-08 5.221928836541176e-03 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 2.253718758600000e+02 -8.800000159681076e-07 -2.297650172240490e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 2.253718754600000e+02 -1.279999992220837e-06 -3.342036533213674e-01 PASS
cmake_foss_2022a_min_serial 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
cmake_foss_2022a_full_serial 2.253718787400000e+02 1.999999994950485e-06 5.221932101698396e-01 PASS
cmake_foss_2022a_min_mpi 2.253718760100000e+02 -7.300000106624793e-07 -1.906005249771487e-01 PASS
spack_intel-2022a_impi_omp 2.253718761300000e+02 -6.100000007336348e-07 -1.592689296954660e-01 PASS
cmake_foss_2022a_full_mpi 2.253718783300000e+02 1.589999982343215e-06 4.151435985230328e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 2.253718763100000e+02 -4.300000000512227e-07 -1.122715404833480e-01 PASS
spack_intel-2023a_serial 2.253718752600000e+02 -1.480000008768911e-06 -3.864229787908385e-01 PASS
spack_intel-2022a_serial_omp 2.253718756900000e+02 -1.050000008717689e-06 -2.741514383074905e-01 PASS
spack_intel-2023a_impi 2.253718762000000e+02 -5.400000020472362e-07 -1.409921676363541e-01 PASS
spack_foss-2022a_cuda_serial 2.253718747500000e+02 -1.990000015439364e-06 -5.195822494619750e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 2.253718794100000e+02 2.669999986437688e-06 6.971279337957410e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 2.253718767800000e+02 4.000000330961484e-08 1.044386509389422e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 2.253718754200000e+02 -1.319999995530452e-06 -3.446475184152616e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 2.253718747500000e+02 -1.990000015439364e-06 -5.195822494619750e-01 PASS