Match comparison for Fz (H) (t=200 au) (match type 17055)

Commits > Commit 7674d3f014e9528d45a88358f14173f28daae041 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916387000e-03 1.000000000000000e-04 4.530246916282569e-03 2.711438332772423e-13 4.530246916387405e-03 3.780517565665775e-13 PASS

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Detailed information

Reference: 0.004530246916387, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 4.530246916765457e-03 3.784568144982181e-13 3.784568144982181e-09 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 4.530246916765457e-03 3.784568144982181e-13 3.784568144982181e-09 PASS
intel_autotools: [intel2023a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
foss-opt-full: [foss2023a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss-serial-full: [foss2023b-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss-ppc: [foss2022a-serial] 4.530246916559524e-03 1.725243212180594e-13 1.725243212180594e-09 PASS
intel_omp_autotools: [intel2022a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
intel_omp_autotools: [intel2023a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
foss-serial-full: [foss2023a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss-mpi-opt-full: [foss2023a-mpi] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss_cmake: [foss2022a-serial, foss-full] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss-mpi-full: [foss2023a-mpi] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 4.530246916765457e-03 3.784568144982181e-13 3.784568144982181e-09 PASS