Match comparison for Total energy (match type 26601)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 28-mgga_kli.01-Si_scan.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.948215400000000e+00 3.970000000000000e-07 -7.948215349272727e+00 2.596883049142268e-09 -7.948215344999999e+00 4.999999969612645e-09 PASS

Checks for this match

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  • GPU builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: -7.9482154, precision: 0.000000397
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
cmake_foss_2022a_full_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_serial_min -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_serial_min -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_ppc -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
cmake_foss_2022a_min_mpi -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_mpi_min -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_mpi_min -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
cmake_foss_2022a_full_mpi -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_mpi_opt -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
cmake_foss_2022a_min_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_serial_debug -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_mpi -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_mpi -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_mpi_debug -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_mpi_omp -7.948215340000000e+00 5.999999963535174e-08 1.511335003409364e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023a_serial_opt -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -7.948215340000000e+00 5.999999963535174e-08 1.511335003409364e-01 PASS
spack_foss-2023a_serial_omp -7.948215340000000e+00 5.999999963535174e-08 1.511335003409364e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2023b_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_intel-2023a_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_intel-2022a_serial_omp -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_intel-2023a_serial_omp -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_intel-2023a_impi -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -7.948215340000000e+00 5.999999963535174e-08 1.511335003409364e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_intel-2022a_impi_omp -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
spack_foss-2022a_cuda_serial -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -7.948215350000000e+00 4.999999969612645e-08 1.259445836174470e-01 PASS