Match comparison for Kinetic energy (match type 26861)

Commits > Commit 2b78a76b7053787dce5c406550a4bb5b7bd1d2d3 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.740758280600000e+02 2.570000000000000e-06 1.740758259664286e+02 2.328889023869996e-07 1.740758258450000e+02 3.749999990532160e-07 FAIL

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Detailed information

Reference: 174.07582806, precision: 0.00000257
Run Value Difference Relative difference Status
foss_min_autotools: [foss2022a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_min_autotools: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_min_autotools: [foss2023b-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_autotools: [foss2022a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_autotools: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
intel_autotools: [intel2023a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_autotools: [foss2023b-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_omp_autotools: [foss2023a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_opt_autotools: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_debug_autotools: [foss2023a-serial] 1.740758257200000e+02 -2.339999980449647e-06 -9.105058289687344e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.740758262200000e+02 -1.839999981712026e-06 -7.159533002770530e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.740758261600000e+02 -1.900000000887303e-06 -7.392996112401957e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.740758254700000e+02 -2.589999979818458e-06 -1.007782093314575e+00 FAIL
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.740758257700000e+02 -2.289999997628911e-06 -8.910505827349848e-01 PASS