core22 0.0.20 limited testing with project 17110

Any announcements about FAH policy, servers and new projects will be made here.

Moderators: Site Moderators, FAHC Science Team

Post Reply
JohnChodera
Pande Group Member
Posts: 470
Joined: Fri Feb 22, 2013 9:59 pm

core22 0.0.20 limited testing with project 17110

Post by JohnChodera »

We are now testing core22 0.0.20 with project 17110 to assess stability and performance before rolling it out to full FAH.

This is the first core22 core release featuring OpenMM 7.7.0, which provides performance improvements and many new science features!
https://github.com/openmm/openmm/releases/tag/7.7.0

This release also includes libstdc++.so.6 from conda-forge, enabling libOpenMM to work on systems with an older libstdc++, such as CentOS 7.

This build uses cudatoolkit 11.2.2 on Windows and Linux; 11.2.0 CUDA runtime on Windows.

Please let us know if you encounter issues with the core.

Special thanks to David Dotson for his fantastic work in automating the build process to make it much easier to release cores!

~ John Chodera // MSKCC

UPDATE 2022-01-23: We have now completed testing and will be rolling out core22 0.0.20 shortly!
Post Reply