Obtaining Services
Brief background: Historically QTP operated its own computing facility, the John C. Slater Memorial Computing Laboratory. The advent of HiPer-Gator, the University of Florida high-performance research computing system, made the operation of the Slater Lab no longer effective. Depending on their nature, services now are at department, college, or university level.
Obtaining computing services & support: If you are QTP student, postdoc, or visitor, your computing services and support is determined by the department in which your QTP faculty supervisor (or host) is a member and in what building you have an office. That’s because QTP has members and visitors appointed in one department but with an office in the building of another department. For example, QTP has members from Materials Science and Engineering and from Chemistry sitting in Physics. For them, network and hardware support comes from Physics IT.
- Chemistry department support is found via:
- Physics department support is found via:
- College of Engineering support (at both department and college level) is found via:
- College of Liberal Arts and Sciences support is found via:
https://help.phys.ufl.edu/projects/public/wiki/Start
https://www.it.eng.ufl.edu/contacts/
Access to HiPerGator is through your faculty supervisor (or host). Some faculty have HiPerGator allocations specifically for their group (“investment model”) or shared under some large grant. There also is generic allocation. Get details from your supervisor or host.
Software
QTP has a strong tradition of creating research software. That includes
- ACES III and ACES II Advanced Concepts in Electronic Structure from the group of Rod Bartlett.
- iGator Electronic Nuclear Dynamics propagation from the group of Hai-Ping Cheng.
- ENDyne Electronic Nuclear Dynamics propagation from the group of Erik Deumens and Yngve Öhrn.
- KGEC Kubo-Greenwood electronic response function package for post-processing QuantumEspresso from the group of Sam Trickey.
- AMBER Bio-molecular molecular dynamics simulation package is developed with participation from the group of Adrian Roitberg.
- PUPIL “Program for User Package Integration and Linking” developed by groups of Sam Trickey, Erik Deumens, and Adrian Roitberg, now supported and evolved by Prof. Juan Torras (Univ. Politècnica de Catalunya).