Match comparison for x (H) (t=200 au) (match type 17041)

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 10-dftbplus_verlet.01-water.inp

General information

Reference	Precision	Mean	Standard deviation	Midpoint	Half width	Status
1.447837823412000e+00	1.000000000000000e-04	1.447837823412236e+00	1.297967747707874e-13	1.447837823412212e+00	1.890709810936642e-13	PASS

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Detailed information

Reference: 1.447837823412, precision: 0.0001

Run	Value	Difference	Relative difference	Status
foss-cmake-zen4: [foss2023a-serial, foss-full]	1.447837823412023e+00	2.309263891220326e-14	2.309263891220326e-10	PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]	1.447837823412023e+00	2.309263891220326e-14	2.309263891220326e-10	PASS
foss-serial-full: [foss2023b-serial]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
foss-opt-full: [foss2023a-serial]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
foss-ppc: [foss2022a-serial]	1.447837823412083e+00	8.304468224196171e-14	8.304468224196171e-10	PASS
foss-serial-full: [foss2023a-serial]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
intel_omp_autotools: [intel2023a-serial]	1.447837823412401e+00	4.012346010995316e-13	4.012346010995316e-09	PASS
intel_omp_autotools: [intel2022a-serial]	1.447837823412401e+00	4.012346010995316e-13	4.012346010995316e-09	PASS
foss-mpi-full: [foss2023a-mpi]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
intel-serial: [intel2023a-serial]	1.447837823412401e+00	4.012346010995316e-13	4.012346010995316e-09	PASS
foss_cmake: [foss2022a-serial, foss-full]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
foss-mpi-opt-full: [foss2023a-mpi]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi]	1.447837823412274e+00	2.737809978725636e-13	2.737809978725636e-09	PASS
cuda-serial: [foss2022a-cuda-mpi]	1.447837823412023e+00	2.309263891220326e-14	2.309263891220326e-10	PASS