Match comparison for Total Energy (match type 18217)
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Input 07-octopus_basics-time_dependent_propagation.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.188700363200000e+02 | 4.980000000000000e-04 | -2.188704321087500e+02 | 2.189833196245567e-04 | -2.188700363200000e+02 | 4.523300000016661e-04 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -218.87003632, precision: 0.000498| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.188704886500000e+02 | -4.523300000016661e-04 | -9.082931726941087e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.188695839900000e+02 | 4.523300000016661e-04 | 9.082931726941087e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.188695839900000e+02 | 4.523300000016661e-04 | 9.082931726941087e-01 | PASS |