Licensed Software

Hosting Licenses

  • The DEAC Cluster has the ability to host licensed software at a network, group, and user level; licenses may be perpetual or updated annually.

  • Most network licenses are hosted on a Wake Forest University License Server via FlexLM

    • The HPC Team also runs several non-FlexLM License Manager services.

  • To add or update a license, contact the HPC Team at deac-help@wfu.edu to explore options

Available Licensed Software

Matlab

Mathematica

Maple

LS-Dyna

Stata

SAS

COMSOL

Gaussian and GaussView

  • Because of the inseparability of the Gaussian 09 and GaussView 5 software, you must agree to both agreements in order to gain access to either software package even if you have no intentions of using one of them.

  • The “License:GaussView 5” page redirects here. Every reference to “Gaussian 09” shall be conferred to mean both products.

Important Highlights

PLEASE NOTE: These summary highlights are provided for reference and are not to be construed as the complete licensing terms NOR should they be considered authoritative interpretations of the license. The actual license (linked above) is the sole authoritative source of terms governing the use of the software. If you feel any of the below statements misrepresents the license above, please contact us at deac-help@wfu.edu immediately to discuss the discrepancy.

Citation Requirements

Usage Restrictions

  • Educational and non-commercial research use only. See license for detailed definition of “non-commercial research use”.

WFU DEAC HPC Acceptable Use

In addition to the license restrictions above, users agree to be bound by the following operational/local restrictions necessary in order for the WFU DEAC HPC systems administration team to adequately ensure compliance:

  • Users shall not copy the software (source, binaries, text files) outside of the access controlled directory for Gaussian 09, even if you have placed or intend to place sufficient access controls on the software to attempt to maintain compliance with the terms of the software license.

VASP

Important Highlights

PLEASE NOTE: These summary highlights are provided for reference and are not to be construed as the complete licensing terms NOR should they be considered authoritative interpretations of the license. The actual license (linked above) is the sole authoritative source of terms governing the use of the software. If you feel any of the below statements misrepresents the license above, please contact us at deac-help@wfu.edu immediately to discuss the discrepancy.

Citation Requirements

See the license for the proper ‘umlaut’s and bold typefacing:

"The calculations have been performed using the ab-initio total-energy and
molecular-dynamics program VASP (Vienna ab-initio simulation program)
developed at the Institut fuer Materialphysik of the Universitaet Wien
[1,2]."

    [1] G. Kresse and J. Furthmueller, Phys. Rev. B 54, 11 169 (1996).

If the PAW-version is used, reference will be made to:

    [2] G. Kresse and D. Joubert, Phys. Rev. 59, 1758 (1999).

If special features implemented in VASP will have been used, reference should be made to the relevant publications as listed on the VASP home-page.

Usage Restrictions

  • Only SIX users are allowed access to the software at any given time (see page 1, section 1)

    • Users must be in the “Condensed Matter Group of WFU Physics Department”

    • No external collaborators are permitted to use the software

  • The source code, executables and databases are to be copy-protected and restricted to licensed users only.

    • See “WFU DEAC HPC Regulations” below regarding proper cluster behavior when using this software

Development and Results

  • Benchmark results of the software CAN NOT be given to third-parties (i.e. anyone outside the licensed users at WFU) without obtaining permission from University of Vienna

  • Any WFU developed extensions to VASP must be made available to University of Vienna and you must permit them to be included in future VASP releases.

WFU DEAC HPC Acceptable Use

In addition to the license restrictions above, users agree to be bound by the following operational/local restrictions necessary in order for the WFU DEAC HPC systems administration team to adequately ensure compliance:

  • Users shall not copy the software (source, binaries) outside of the access controlled directory for VASP (currently, /deac/opt/vasp-X.Y.Z, where X.Y.Z represents the software version), even if you have placed or intend to place sufficient access controls on the software to attempt to maintain compliance with the terms of the software license.

    • As part of the useful operation of the software, it is required to create a potential file (POTCAR) that is a custom combination of the relevant potentials files for your job. In these cases, you must ensure that the file has the following access controls so that the possibility of inadvertent access to the potentials is minimized:

chown ${USER}:vaspUsr ${PATH_TO_FILE}/POTCAR
chmod g=,o= ${PATH_TO_FILE}/POTCAR