Match comparison for Exchange energy (match type 29781)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.938297424000000e+01 | 9.690000000000000e-08 | -1.938297424190476e+01 | 1.735320704620640e-08 | -1.938297423500000e+01 | 3.499999934319931e-08 | PASS |
Checks for this match
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Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -19.38297424, precision: 0.0000000969| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2022a_serial_min | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2023a_serial_min | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.938297427000000e+01 | -2.999999892949745e-08 | -3.095975121723163e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2023b_serial | -1.938297426000000e+01 | -2.000000165480742e-08 | -2.063983658906854e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -1.938297420000000e+01 | 3.999999975690116e-08 | 4.127966951176590e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.938297423000000e+01 | 1.000000082740371e-08 | 1.031991829453427e-01 | PASS |
| spack_intel-2023a_impi | -1.938297423000000e+01 | 1.000000082740371e-08 | 1.031991829453427e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.938297421000000e+01 | 2.999999892949745e-08 | 3.095975121723163e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.938297422000000e+01 | 1.999999810209374e-08 | 2.063983292269736e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.938297424000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |