Match comparison for Occupation Ni2 down 3d5 (match type 30122)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.887802600000000e-01 4.500000000000000e-06 8.887798161111108e-01 5.068947464055676e-07 8.887802600000000e-01 1.099999999976120e-06 PASS
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Detailed information

Reference: 0.88878026, precision: 0.0000045
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
spack_foss-2023a_serial_opt 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
spack_foss-2022a_serial 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
spack_foss-2022a_serial_min 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
spack_foss-2022a_ppc 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
spack_foss-2023a_serial 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
spack_foss-2023b_serial 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
spack_foss-2022a_mpi_min 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
spack_foss-2023a_mpi_min 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
spack_foss-2023a_serial_omp 8.887794500000000e-01 -8.099999999622298e-07 -1.799999999916066e-01 PASS
spack_foss-2023a_mpi_opt 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
spack_foss-2022a_mpi 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
spack_foss-2023a_mpi 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
spack_foss-2023a_serial_debug 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
spack_foss-2023a_mpi_debug 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 8.887813600000000e-01 1.099999999976120e-06 2.444444444391378e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 8.887803300000000e-01 7.000000001866624e-08 1.555555555970361e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 8.887798600000000e-01 -4.000000000115023e-07 -8.888888889144494e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 8.887794500000000e-01 -8.099999999622298e-07 -1.799999999916066e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss_autotools: [foss2023a-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 8.887799900000000e-01 -2.700000000244174e-07 -6.000000000542608e-02 PASS
spack_foss-2023a_mpi_omp 8.887800700000000e-01 -1.899999999555035e-07 -4.222222221233412e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 8.887800700000000e-01 -1.899999999555035e-07 -4.222222221233412e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
cmake_foss_2022a_full_serial 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
cmake_foss_2022a_min_serial 8.887791600000000e-01 -1.099999999976120e-06 -2.444444444391378e-01 PASS
cmake_foss_2022a_min_mpi 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
cmake_foss_2022a_full_mpi 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
spack_intel-2022a_impi_omp 8.887798300000000e-01 -4.299999999402004e-07 -9.555555554226676e-02 PASS
spack_intel-2023a_serial 8.887813600000000e-01 1.099999999976120e-06 2.444444444391378e-01 PASS
spack_intel-2022a_serial_omp 8.887798600000000e-01 -4.000000000115023e-07 -8.888888889144494e-02 PASS
spack_intel-2023a_serial_omp 8.887803300000000e-01 7.000000001866624e-08 1.555555555970361e-02 PASS
spack_intel-2023a_impi 8.887795200000000e-01 -7.399999999435636e-07 -1.644444444319030e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 8.887799000000000e-01 -3.600000000325565e-07 -8.000000000723477e-02 PASS
spack_foss-2022a_cuda_mpi_omp 8.887800900000000e-01 -1.699999999660307e-07 -3.777777777022903e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 8.887794000000000e-01 -8.599999999914232e-07 -1.911111111092051e-01 PASS
spack_foss-2022a_cuda_serial 8.887793500000000e-01 -9.100000000206165e-07 -2.022222222268037e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 8.887795200000000e-01 -7.399999999435636e-07 -1.644444444319030e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 8.887798300000000e-01 -4.299999999402004e-07 -9.555555554226676e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 8.887803399999999e-01 7.999999995789153e-08 1.777777776842034e-02 PASS