Match comparison for Total energy (match type 26854)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.028060178000000e+02 1.150000000000000e-05 -3.028060274350000e+02 3.747908527589665e-06 -3.028060177950000e+02 1.045499999463573e-05 PASS
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Detailed information

Reference: -302.8060178, precision: 0.0000115
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_min_autotools: [foss2022a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
intel_autotools: [intel2023a-serial] -3.028060073400000e+02 1.045999999860214e-05 9.095652172697516e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_autotools: [foss2023a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_opt_autotools: [foss2023a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_autotools: [foss2023b-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_autotools: [foss2022a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.028060282100000e+02 -1.041000001578141e-05 -9.052173926766440e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.028060282000000e+02 -1.040000000784858e-05 -9.043478267694414e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.028060266300000e+02 -8.830000012949313e-06 -7.678260880825489e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.028060270600000e+02 -9.260000013000536e-06 -8.052173924348291e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.028060280600000e+02 -1.026000001047578e-05 -8.921739139544155e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.028060281600000e+02 -1.035999997611725e-05 -9.008695631406305e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS