Match comparison for External energy (match type 26102)

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Input 18-TiO2.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.632415143850000e+02 4.830000000000000e-06 -1.632415148666666e+02 1.677434107978235e-06 -1.632415142700000e+02 3.159999991453333e-06 PASS
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Detailed information

Reference: -163.24151438500002, precision: 0.00000483
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2022a_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
cmake_foss_2022a_full_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
cmake_foss_2022a_min_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2022a_ppc -1.632415111100000e+02 3.275000011626616e-06 6.780538326349101e-01 PASS
spack_foss-2023a_mpi_min -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
cmake_foss_2022a_min_mpi -1.632415144600000e+02 -7.499997423110472e-08 -1.552794497538400e-02 PASS
cmake_foss_2022a_full_mpi -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2022a_cuda_serial -1.632415169400000e+02 -2.554999980475259e-06 -5.289855032039873e-01 PASS
spack_foss-2023a_mpi -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2022a_mpi_min -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2022a_cuda_mpi_omp -1.632415156700000e+02 -1.284999996187253e-06 -2.660455478648556e-01 PASS
spack_foss-2022a_mpi -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2023a_mpi_debug -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2023a_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2023a_mpi_opt -1.632415164400000e+02 -2.054999981737637e-06 -4.254658347282893e-01 PASS
spack_foss-2023a_serial_min -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2023a_serial_debug -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2023a_mpi_omp -1.632415167900000e+02 -2.404999975169630e-06 -4.979296014843955e-01 PASS
spack_foss-2023a_serial_opt -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2023b_serial -1.632415136400000e+02 7.450000225617259e-07 1.542443110893842e-01 PASS
spack_foss-2023a_serial_omp -1.632415150700000e+02 -6.849999749647395e-07 -1.418219409864885e-01 PASS
spack_intel-2023a_serial -1.632415174300000e+02 -3.044999971280049e-06 -6.304347766625360e-01 PASS
spack_intel-2022a_serial_omp -1.632415111600000e+02 3.225000028805880e-06 6.677018693179876e-01 PASS
spack_intel-2023a_serial_omp -1.632415156800000e+02 -1.294999975698374e-06 -2.681159369975930e-01 PASS
spack_intel-2023a_impi -1.632415139000000e+02 4.850000152600842e-07 1.004140818343860e-01 PASS
spack_intel-2022a_impi_omp -1.632415153500000e+02 -9.649999697103340e-07 -1.997929543913735e-01 PASS