core22 0.0.20 limited testing with project 17110
Posted: Fri Jan 21, 2022 10:22 pm
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!
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!