Match comparison for Fx (H) (t=200 au) (match type 17053)

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.710019608717000e-03 1.000000000000000e-04 -8.710019608331836e-03 7.035995637710251e-14 -8.710019608377348e-03 1.561112350501048e-13 PASS

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Detailed information

Reference: -0.008710019608717, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2023a_serial -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
cmake_foss_2022a_full_serial -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2022a_ppc -8.710019608221237e-03 4.957631527524597e-13 4.957631527524597e-09 PASS
cmake_foss_2022a_full_mpi -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2022a_cuda_serial -8.710019608533459e-03 1.835406826522501e-13 1.835406826522501e-09 PASS
spack_foss-2023a_serial_opt -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2023b_serial -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_foss-2023a_serial_omp -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
spack_intel-2023a_serial -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
spack_intel-2022a_serial_omp -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
spack_intel-2023a_serial_omp -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS