Match comparison for Total energy (match type 26854)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > 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 -3.028060241378125e+02 1.309208032373177e-05 -3.028060433150000e+02 3.486500000349224e-05 FAIL

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -302.8060178, precision: 0.0000115
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.028060282300000e+02 -1.042999997480365e-05 -9.069565195481435e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.028060282300000e+02 -1.042999997480365e-05 -9.069565195481435e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.028060281000000e+02 -1.029999998536368e-05 -8.956521726403203e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.028060274200000e+02 -9.620000014365360e-06 -8.365217403795965e-01 PASS
foss-serial-min: [foss2022a-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss-serial-min: [foss2023b-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss-serial-min: [foss2023a-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
intel_autotools: [intel2023a-serial] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-serial-full: [foss2023a-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss-opt-full: [foss2023a-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss-serial-full: [foss2023b-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
foss-ppc: [foss2022a-serial] -3.028060280500000e+02 -1.025000000254295e-05 -8.913043480472128e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.028060262800000e+02 -8.480000019517320e-06 -7.373913060449844e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.028060282400000e+02 -1.043999998273648e-05 -9.078260854553462e-01 PASS
foss-serial-debug: [foss2023a-serial] -3.028060084500000e+02 9.350000027552596e-06 8.130434806567475e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.028060282400000e+02 -1.043999998273648e-05 -9.078260854553462e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.028060282400000e+02 -1.043999998273648e-05 -9.078260854553462e-01 PASS
foss-omp-full: [foss2023a-serial] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.028060282400000e+02 -1.043999998273648e-05 -9.078260854553462e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.028060282400000e+02 -1.043999998273648e-05 -9.078260854553462e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.028060781800000e+02 -6.037999997943189e-05 -5.250434780820164e+00 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.028060281700000e+02 -1.036999998405008e-05 -9.017391290478333e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.028060282500000e+02 -1.044999999066931e-05 -9.086956513625488e-01 PASS