Match comparison for Bader value 2 (match type 22568)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Input 08-symmetrization_mgga.01-spg3_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.938005341481400e-02 | 7.620000000000000e-13 | -5.938005341549780e-02 | 9.942417664857673e-15 | -5.938005341548925e-02 | 2.674943599956237e-14 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.059380053414814005, precision: 0.000000000000762| Run | Value | Difference | Relative difference | Status |
| GCI_foss_min_autotools: [foss2023a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_serial_min | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_serial_min | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_serial | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_ppc | -5.938005341549580e-02 | -6.817948983162125e-13 | -8.947439610448984e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -5.938005341547810e-02 | -6.640937799673452e-13 | -8.715141469387733e-01 | PASS |
| spack_foss-2023a_serial | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -5.938005341549580e-02 | -6.817948983162125e-13 | -8.947439610448984e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_mpi | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_mpi | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2023a_mpi_debug | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.938005341549850e-02 | -6.844941280448325e-13 | -8.982862572766830e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.938005341546250e-02 | -6.484951464713617e-13 | -8.510434993062490e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -5.938005341550230e-02 | -6.882966419041736e-13 | -9.032764329451097e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -5.938005341550460e-02 | -6.905934157863669e-13 | -9.062905718981193e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.938005341550460e-02 | -6.905934157863669e-13 | -9.062905718981193e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_foss-2023b_serial | -5.938005341550190e-02 | -6.878941860577470e-13 | -9.027482756663346e-01 | PASS |
| spack_intel-2023a_serial | -5.938005341550230e-02 | -6.882966419041736e-13 | -9.032764329451097e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.938005341547810e-02 | -6.640937799673452e-13 | -8.715141469387733e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -5.938005341549930e-02 | -6.852921008437818e-13 | -8.993334656742543e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.938005341549930e-02 | -6.852921008437818e-13 | -8.993334656742543e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.938005341547560e-02 | -6.615957781619386e-13 | -8.682359293463762e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -5.938005341551600e-02 | -7.019940184704865e-13 | -9.212519927434206e-01 | PASS |
| spack_intel-2023a_impi | -5.938005341551600e-02 | -7.019940184704865e-13 | -9.212519927434206e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -5.938005341549850e-02 | -6.844941280448325e-13 | -8.982862572766830e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -5.938005341549750e-02 | -6.834949273226698e-13 | -8.969749702397242e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.938005341550900e-02 | -6.949926745214441e-13 | -9.120638773247298e-01 | PASS |
| spack_foss-2022a_cuda_serial | -5.938005341547560e-02 | -6.615957781619386e-13 | -8.682359293463762e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -5.938005341550900e-02 | -6.949926745214441e-13 | -9.120638773247298e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.938005341546250e-02 | -6.484951464713617e-13 | -8.510434993062490e-01 | PASS |