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本帖最后由 金鹏 于 2017-6-11 21:30 编辑
严重坑爹的小分子包,只适合低端GPU跑
Project 13902[size=1.3em]Hi,
I am moving project 13902 to advanced. This project explores all double-mutants of the CLN025 variant of Chignolin, which is a very small protein commonly used for validating both experimental and computational methods. Understanding how Chignolin folds will help address fundamental questions about protein folding and help us develop the types of models we use on large systems such as kinases and GPCRs. There are a limited number of higher-grade GPUs that will not be able to receive this project.
core: OPENMM_21
base-credit: 5600 points
bonus: 0.75x
timeout: 3 days
deadline: 5 days
atoms: 6000
Thanks,
Brooke New project for testing: 13902[size=1.3em]Hi,
I have a new project on beta today for GPU testing. The project number is 13902. This project explores all double-mutants of the CLN025 variant of Chignolin, which is a very small protein commonly used for validating both experimental and computational methods. Understanding how Chignolin folds will help address fundamental questions about protein folding and help us develop the types of models we use on large systems such as kinases and GPCRs.
PLEASE NOTE that due to the nature of this project (very small protein, short simulation times), donors with higher-grade cards will experience moderate to serious decreases in PPD. If you have a higher-grade GPU, please consider one of our other projects! This specification will be formally restricted soon.
core: OPENMM_21
base-credit: 5600 points
bonus: 0.75x
timeout: 3 days
deadline: 5 days
atoms: 6000
Thanks,
Brooke Re: Project 13902[size=1.3em]Thanks for your post!
This is a simulation of a very small protein which is affecting the PPD range across cards. We are aware that there is a large discrepancy in actual vs. expected PPD for higher-grade cards and are presently working on codifying restrictions to only lower-grade GPUs (for which the project was benchmarked).
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