Match comparison for Exchange energy (match type 29768)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.282713600000000e+00 | 2.540000000000000e-04 | -3.282941582105263e+00 | 7.613739585278130e-07 | -3.282942620000000e+00 | 1.399999999929236e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -3.2827136, precision: 0.000254| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.282941250000000e+00 | -2.276499999998016e-04 | -8.962598425189040e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| spack_foss-2022a_ppc | -3.282941250000000e+00 | -2.276499999998016e-04 | -8.962598425189040e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| spack_foss-2022a_mpi | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| spack_foss-2022a_serial | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2022a_serial_min | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_serial | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| spack_foss-2023a_mpi | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| spack_foss-2023a_serial_min | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023b_serial | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.282941470000000e+00 | -2.278699999997968e-04 | -8.971259842511687e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.282943330000000e+00 | -2.297300000000391e-04 | -9.044488188977916e-01 | PASS |
| spack_intel-2023a_serial | -3.282941550000000e+00 | -2.279499999997547e-04 | -8.974409448809242e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.282941550000000e+00 | -2.279499999997547e-04 | -8.974409448809242e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.282941470000000e+00 | -2.278699999997968e-04 | -8.971259842511687e-01 | PASS |
| spack_intel-2023a_impi | -3.282941280000000e+00 | -2.276800000000634e-04 | -8.963779527561551e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.282941470000000e+00 | -2.278699999997968e-04 | -8.971259842511687e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.282941220000000e+00 | -2.276199999999839e-04 | -8.961417322834014e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.282941280000000e+00 | -2.276800000000634e-04 | -8.963779527561551e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.282941390000000e+00 | -2.277899999998390e-04 | -8.968110236214132e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.282943330000000e+00 | -2.297300000000391e-04 | -9.044488188977916e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -3.282941260000000e+00 | -2.276599999997408e-04 | -8.962992125974050e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.282941470000000e+00 | -2.278699999997968e-04 | -8.971259842511687e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.282944020000000e+00 | -2.304199999998424e-04 | -9.071653543300883e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.282943960000000e+00 | -2.303599999997630e-04 | -9.069291338573345e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.282943960000000e+00 | -2.303599999997630e-04 | -9.069291338573345e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.282944020000000e+00 | -2.304199999998424e-04 | -9.071653543300883e-01 | PASS |