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[新闻] New COVID-related A7 Projects (14340-13344) Coming to ADV

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发表于 2020-3-20 08:48:59 | 显示全部楼层 |阅读模式
本帖最后由 金鹏 于 2020-3-22 13:11 编辑

CPU新冠包,需要加advanced参数
加advanced参数参考首贴末端 http://www.equn.com/forum/thread-48272-1-1.html


Re: New COVID-related A7 Projects (14340-13344) Coming to BE
by tug27224 » Sat Mar 21, 2020 2:15 am
[size=1.3em]If there are no further issues, I will be moving to ADV in ~1hour.
New COVID-related A7 Projects (14340-13344) Coming to BETA
by tug27224 » Fri Mar 20, 2020 5:51 am
[size=1.3em]We're announcing CPU clones of some of the more popular covid-19 related GPU projects. These are the same systems as announced in the previous post and they are listed below:
The projects which these systems mimic are: 11741-11746
All projects are using the A7 Gromacs CPU core.

14340: Coronavirus SARS-CoV-2 (COVID-19 causing virus) receptor binding domain in complex with human receptor ACE2 (alternative structure to 11741). atoms: 182699, credit: 640
14341: Coronavirus SARS-CoV (SARS causing virus) receptor binding domain mutated to the SARS-CoV-2 (COVID-19 causing virus) trapped by a SARS-CoV S230 antibody. atoms: 110370, credit: 880
14342: Coronavirus SARS-CoV (SARS causing virus) receptor binding domain trapped by a SARS-CoV S230 antibody. atoms: 109578, credit: 880
14343: Coronavirus SARS-CoV (SARS causing virus) receptor binding domain mutated to the SARS-CoV-2 (COVID-19 causing virus). atoms: 109578, credit: 850
14344: Coronavirus SARS-CoV-2 (COVID-19 causing virus) receptor binding domain in complex with human receptor ACE2. atoms: 165550, credit: 1500
Re: New COVID-related A7 Projects (14340-13344) Coming to BE
by tug27224 » Fri Mar 20, 2020 9:39 am
[size=1.3em]1) The purpose is two-fold. The first is to ensure that we continue to have enough WUs for clients that are only folding on CPU. Alternatively, each project always has multiple clones (usually several hundred to thousand) which are all independent simulations, so also act as adding additional clones in that sense, which will lower the overall statistical error in analyzing each system.
2) Both! As set out above, these new projects are the same as adding new clones in the PRCG sense to the GPU projects, while also making them accessible to CPU folders.


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