Match comparison for Energy [step 4] (match type 23964)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.058217201622326e+01 | 8.890000000000001e-09 | -1.058217201776006e+01 | 7.192207605467799e-09 | -1.058217201764563e+01 | 8.183987709742269e-09 | FAIL |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -10.582172016223259, precision: 0.00000000889| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.058217202403066e+01 | -7.807404500681514e-09 | -8.782232284231174e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.058217200967642e+01 | 6.546839514953717e-09 | 7.364273920082921e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.058217202403066e+01 | -7.807404500681514e-09 | -8.782232284231174e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.058217200956461e+01 | 6.658648743496087e-09 | 7.490043580985475e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.058217200946164e+01 | 6.761622373119280e-09 | 7.605874435454758e-01 | PASS |
| spack_foss-2022a_mpi | -1.058217200949593e+01 | 6.727326251620980e-09 | 7.567296121058470e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.058217201026411e+01 | 5.959149618206538e-09 | 6.703205419804880e-01 | PASS |
| spack_foss-2022a_serial | -1.058217202439747e+01 | -8.174211529876629e-09 | -9.194838616284172e-01 | PASS |
| spack_foss-2022a_serial_min | -1.058217202439747e+01 | -8.174211529876629e-09 | -9.194838616284172e-01 | PASS |
| spack_foss-2023a_mpi | -1.058217200949593e+01 | 6.727326251620980e-09 | 7.567296121058470e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.058217201026411e+01 | 5.959149618206538e-09 | 6.703205419804880e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.058217202582961e+01 | -9.606353046365257e-09 | -1.080579645260434e+00 | FAIL |
| spack_foss-2023a_serial | -1.058217202439747e+01 | -8.174211529876629e-09 | -9.194838616284172e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.058217200967642e+01 | 6.546839514953717e-09 | 7.364273920082921e-01 | PASS |
| spack_foss-2023a_serial_min | -1.058217202439747e+01 | -8.174211529876629e-09 | -9.194838616284172e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.058217201125072e+01 | 4.972539713321567e-09 | 5.593408001486576e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.058217202403066e+01 | -7.807404500681514e-09 | -8.782232284231174e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.058217202440462e+01 | -8.181359589798376e-09 | -9.202879178625845e-01 | PASS |
| spack_foss-2023b_serial | -1.058217202439747e+01 | -8.174211529876629e-09 | -9.194838616284172e-01 | PASS |
| spack_intel-2023a_serial | -1.058217202505475e+01 | -8.831495534877831e-09 | -9.934190702899697e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.058217202363781e+01 | -7.414550751150273e-09 | -8.340327054162286e-01 | PASS |
| spack_intel-2023a_impi | -1.058217201019650e+01 | 6.026759535870951e-09 | 6.779257070720980e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.058217202363781e+01 | -7.414550751150273e-09 | -8.340327054162286e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.058217201025101e+01 | 5.972246697183436e-09 | 6.717937792107352e-01 | PASS |