Match comparison for Total energy (match type 29955)

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Input 33-go_shape.03_monolayerBN.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.456027275900000e+02 5.770000000000000e-05 4.456027532895833e+02 1.648225068076129e-05 4.456027478700000e+02 4.570000001535846e-05 FAIL

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Detailed information

Reference: 445.60272759000003, precision: 0.0000577
Run Value Difference Relative difference Status
spack_foss-2022a_ppc 4.456027566800000e+02 2.908999999817752e-05 5.041594453756936e-01 PASS
cmake_foss_2022a_min_serial 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
cmake_foss_2022a_full_serial 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
cmake_foss_2022a_min_mpi 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
cmake_foss_2022a_full_mpi 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2022a_mpi_min 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2022a_mpi 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2022a_serial 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2022a_serial_min 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023a_mpi 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2023a_mpi_min 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2023a_serial 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023a_serial_min 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023a_mpi_opt 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2023a_serial_opt 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023a_mpi_debug 4.456027557100000e+02 2.811999996765735e-05 4.873483529923284e-01 PASS
spack_foss-2023a_serial_debug 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023b_serial 4.456027556600000e+02 2.806999998483661e-05 4.864818021635461e-01 PASS
spack_foss-2023a_serial_omp 4.456027021700000e+02 -2.542000004268630e-05 -4.405545934607677e-01 PASS
spack_intel-2022a_serial_omp 4.456027607800000e+02 3.318999995371996e-05 5.752166369795487e-01 PASS
spack_foss-2023a_mpi_omp 4.456027074000000e+02 -2.019000004338523e-05 -3.499133456392587e-01 PASS
spack_intel-2023a_serial 4.456027556800000e+02 2.808999994385886e-05 4.868284219039663e-01 PASS
spack_intel-2023a_impi 4.456027560500000e+02 2.845999995315651e-05 4.932409004013260e-01 PASS
spack_intel-2022a_impi_omp 4.456027935700000e+02 6.597999998803061e-05 1.143500866343685e+00 FAIL