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core22 0.0.18 widespread rollout on Mon 15 Nov
by JohnChodera » Sun Nov 14, 2021 1:22 pm
Hi all!
We're planning to roll out core22 0.0.18 to all FAH projects on Mon 15 Nov.
This version is built from OpenMM 7.6.0, the latest and most performant release of OpenMM: http://openmm.org
We have used CUDA Toolkit 11.2 for these builds in order to support the latest, fastest NVIDIA GPUs. This may result in older GPUs or drivers that are no longer supported by CUDA 11.2 to fall back to OpenCL instead; you may need to update your NVIDIA driver to one that supports CUDA 11.2 (linux >= 460.32.03, windows >=461.09) if this happens.
We broke CUDA support for the Linux core build in 0.0.16 by not including trailing version digits on shipped CUDA shared libraries. This has now been fixed.
Huge thanks to David Dotson, Peter Eastman, and all the FAH volunteers who helped us test this release!
~ John Chodera // MSKCC
大意:
GPU计算内核core22,将在11月15号(周一)正式升级至0.0.18版。该版本将OpenMM内核升级至最新的7.6.0版,支持CUDA Toolkit 11.2。
请大家注意升级驱动(linux >= 460.32.03, windows >=461.09),否则计算内核会因为驱动问题,自动退出cuda模式切至OpenCL模式
不同步升级驱动程序会造成不能计算或者PPD暴降,所以461.09版本以上走起
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