Match comparison for Total energy (match type 23239)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.177955062000000e+01 | 4.400000000000000e-08 | -3.177955060666666e+01 | 1.699673149255490e-08 | -3.177955061000000e+01 | 1.999999987845058e-08 | PASS |
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: -31.779550620000002, precision: 0.000000044| Run | Value | Difference | Relative difference | Status |
| spack_intel-2022a_serial_omp | -3.177955060000000e+01 | 2.000000165480742e-08 | 4.545454921547141e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.177955059000000e+01 | 3.000000248221113e-08 | 6.818182382320712e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.177955063000000e+01 | -9.999997274690031e-09 | -2.272726653338644e-01 | PASS |