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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916387000e-03 1.000000000000000e-04 4.530246916161168e-03 1.440632263091854e-13 4.530246916284439e-03 2.750855099264982e-13 PASS

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Detailed information

Reference: 0.004530246916387, precision: 0.0001
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
cmake_foss_2022a_full_mpi 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_intel-2023a_serial 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
spack_intel-2022a_serial_omp 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
spack_intel-2023a_serial_omp 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
spack_foss-2022a_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2023a_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2023a_serial_opt 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2023b_serial 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
spack_foss-2022a_ppc 4.530246916559524e-03 1.725243212180594e-13 1.725243212180594e-09 PASS
spack_foss-2023a_serial_omp 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS