Match comparison for Kinetic energy (match type 12950)
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.636914540000000e+00 | 8.180000000000000e-08 | 1.636914545555556e+00 | 2.499382634430707e-08 | 1.636914535000000e+00 | 3.500000000933312e-08 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 1.63691454, precision: 0.0000000818| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2022a_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2022a_ppc | 1.636914570000000e+00 | 3.000000003972048e-08 | 3.667481667447491e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_mpi | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |
| spack_foss-2022a_mpi | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_serial_min | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023b_serial | 1.636914560000000e+00 | 1.999999987845058e-08 | 2.444987760201782e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |
| spack_intel-2023a_serial | 1.636914540000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |
| spack_intel-2023a_impi | 1.636914540000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 1.636914500000000e+00 | -3.999999997894577e-08 | -4.889975547548382e-01 | PASS |