https://docs-archive.hpc.udel.edu/ Tue, 14 Apr 2026 22:00:59 +0000 FeedCreator 1.8 https://docs-archive.hpc.udel.edu/_media/wiki/dokuwiki.svg https://docs-archive.hpc.udel.edu/ https://docs-archive.hpc.udel.edu/software/quantum-atk/caviness QuantumATK on Caviness QuantumATK requires user(s) to purchase a license and setup a license server to actually use the software. This requires some amount of setup for each workgroup to do in order to use QuantumATK on Caviness. One can define an environment variable that can be set to the license server "path" ( anonymous@undisclosed.example.com (Anonymous) Thu, 31 Mar 2022 14:10:38 +0000 https://docs-archive.hpc.udel.edu/software/quantum-atk/darwin QuantumATK on DARWIN Use vpkg_versions quantum-atk to see a list of all available versions of QuantumATK installed on DARWIN. For example $ vpkg_versions quantum-atk Available versions in package (* = default version): [/opt/shared/valet/2.1/etc/quantum-atk.vpkg_yaml] quantum-atk Atomistic Simulation Software * 2023.12 version 2023.12 for Linux (with bundled MPI) 2023.12:system-mpi version 2023.12 for Linux (no bundled MPI) anonymous@undisclosed.example.com (Anonymous) Mon, 04 Nov 2024 16:14:05 +0000 https://docs-archive.hpc.udel.edu/software/quantum-atk/farber QuantumATK on Farber QuantumATK requires user(s) to purchase a license and setup a license server to actually use the software. This requires some amount of setup for each workgroup to do in order to use QuantumATK on Farber. One can define an environment variable that can be set to the license server "path" ( anonymous@undisclosed.example.com (Anonymous) Thu, 31 Mar 2022 14:09:59 +0000 https://docs-archive.hpc.udel.edu/software/quantum-atk/quantum-atk QuantumATK QuantumATK atomic-scale modeling software enables large-scale and thus more realistic material simulations, integrating multiple simulation methods, ranging from ab initio DFT to semi-empirical and classical force fields analysis, into an easy-to-use platform. QuantumATK accelerates semiconductor and materials R&D, and reduces time and costs by enabling more efficient workflows in the screening process of new materials across a broad range of high-tech industries. anonymous@undisclosed.example.com (Anonymous) Mon, 04 Nov 2024 15:57:47 +0000 https://docs-archive.hpc.udel.edu/software/quantum-atk/sidebar * Home * Caviness * DARWIN * Farber (Retired) * Mills (Retired) * Software * Abaqus * Anaconda * ANSYS-Fluent * Apptainer * ArcGIS * Comsol * FFTW * Fortran * Gaussian * Globus * GROMACS * Gurobi * HPCC * Java * Jupyter Notebook * LAMMPS * LAPACK * LaPlace * Lumerical * Mathematica * Matlab * Matplotlib * Miniconda * Miniforge * Mpi4py * NAMD * OpenFOA… anonymous@undisclosed.example.com (Anonymous) Mon, 06 Apr 2026 20:22:18 +0000