Notices:
Panther upgrade is complete except for mopping up bugs. See status details. We are recommending a new remote graphical tool. And see note about SSH keys.
Regarding the 3-30-25 Data-Center outage, everything is now back to normal operation on MGCF systems. Let us know if you see any issue.
Please acknowledge NIH S10OD034382 in publications using the MGCF and email us the reference.
Recent Software Updates: Q-Chem (6.2.2), ORCA (6.0.1), DFTB+ (23.1), XTB (6.7.0), GROMACS (2023.3), Maestro 2024-4.
The MGCF in 175 Tan Hall is a comfortable computer room with hi-res, large screen workstations. If you have an MGCF login, see details about using the MGCF on site and obtaining 24/7 access. 175 Tan Hall is unlocked 8am-5pm on University Business days. Turn the handle and push the door.
We have scientists providing technical consulting on project feasibility, equipment and software use. More details are here.
Email the Facility Scientific Staff for more information or to obtain a login.
Kavli ENSI: The MCGF provides computing resources for Kavli ENSI researchers. Kavli ENSI researchers can join the MGCF user base as described on these pages.
The MGCF is fully accessible via on-site and remote access. Please email us if you need help! Most technical issues are best handled via email but if you want to talk about theory or planning, suggest some times and we'll set up a Zoom or in person meeting.
Note: Kathy has retired and is now working ~40% time. Dave will continue his facility scientist role and our colleague Singam is joining us, and also taking on a facility leadership role.