xtb

xtb - An extended tight-binding semi-empirical program package.

https://xtb-docs.readthedocs.io

Available modules

The overview below shows which xtb installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).

To start using xtb, load one of these modules using a module load command like:

module load xtb/6.7.1-gfbf-2024a

(This data was automatically generated on Thu, 22 Jan 2026 at 12:03:27 EST)

	gateway	generic	zen2	zen3	zen4	skylake_avx512
	Gateway nodes	everywhere (except Grace nodes)	amd20	amd22	amd24	intel18,amd20-v100,amd21,intel21
xtb/6.7.1-gfbf-2024a	-	x	-	-	-	-
xtb/6.6.1-gfbf-2023a	-	x	-	-	-	-