Match comparison for Occupation Ni2 down 3d4 (match type 21943)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.732669800000000e-01 7.500000000000000e-07 9.732669109259258e-01 3.978034683954236e-08 9.732670100000000e-01 1.500000000320689e-07 PASS
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Detailed information

Reference: 0.97326698, precision: 0.00000075
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
cmake_foss_2022a_full_serial 9.732668799999999e-01 -1.000000000583867e-07 -1.333333334111823e-01 PASS
spack_foss-2022a_serial 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
spack_foss-2022a_ppc 9.732669200000000e-01 -5.999999996841865e-08 -7.999999995789153e-02 PASS
spack_foss-2022a_mpi_min 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
cmake_foss_2022a_full_mpi 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2022a_mpi 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
cmake_foss_2022a_min_serial 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
spack_foss-2023a_mpi 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
cmake_foss_2022a_min_mpi 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 9.732668799999999e-01 -1.000000000583867e-07 -1.333333334111823e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 9.732668600000000e-01 -1.200000000478596e-07 -1.600000000638128e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 9.732670200000000e-01 3.999999997894577e-08 5.333333330526102e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 9.732669200000000e-01 -5.999999996841865e-08 -7.999999995789153e-02 PASS
spack_foss-2023a_mpi_debug 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 9.732669200000000e-01 -5.999999996841865e-08 -7.999999995789153e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_mpi_min 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss_autotools: [foss2023b-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_serial 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
spack_foss-2023a_mpi_opt 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
spack_foss-2023a_serial_debug 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_serial_min 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_serial_opt 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_mpi_omp 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 9.732669400000000e-01 -3.999999997894577e-08 -5.333333330526102e-02 PASS
spack_foss-2023b_serial 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_foss-2023a_serial_omp 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_intel-2023a_serial 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_intel-2022a_serial_omp 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_intel-2023a_serial_omp 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS
spack_intel-2023a_impi 9.732669200000000e-01 -5.999999996841865e-08 -7.999999995789153e-02 PASS
spack_intel-2022a_impi_omp 9.732669400000000e-01 -3.999999997894577e-08 -5.333333330526102e-02 PASS
spack_foss-2022a_cuda_mpi_omp 9.732668900000000e-01 -9.000000000813912e-08 -1.200000000108522e-01 PASS
spack_foss-2022a_cuda_serial 9.732671600000000e-01 1.800000000162782e-07 2.400000000217043e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 9.732669000000000e-01 -7.999999995789153e-08 -1.066666666105220e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 9.732669100000000e-01 -7.000000001866624e-08 -9.333333335822165e-02 PASS