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.

There was an outage at the campus Data Center on Sunday, March 30. We expected that the MGCF workstations and home directories would remain accessible but the backup power failed and we were offline for a few hours. We are bringing Panther fully online Monday morning (in process).

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.

About Us: The MGCF (Molecular Graphics and Computation Facility) is in 175 Tan Hall and is a high-performance computing resource specializing in chemistry and related disciplines. We serve over 50 research groups in the College of Chemistry and the wider UC Berkeley campus community. We also serve research groups at other universities including MIT, U of Oregon, U of Texas, and other UC's. The MGCF was founded in 1990 with NIH funding and has since been supported through NIH, NSF and generous corporate sponsorship from Intel, Dell and others.

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.