How do I block Full-atom molecular dynamics tasks?


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Pentti Kiesi

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Message 15968 - Posted: 25 Mar 2010, 10:30:51 UTC

Hi.

Full-atom molecular dynamics v6.71 (cuda23) tasks
seem not to suit my tiny GPU (GTS240). How do I
block those tasks? There is no such selection
in GPUGRID preferences.

Thanks

Pena
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Message 15972 - Posted: 25 Mar 2010, 12:28:57 UTC - in response to Message 15968.  

Under "GPUGrid Preferences" in "Your account", make the option: "ACEMD: no". There is also an option for the new 6.03 WU's (ACEMD ver 2.0) Beta WU's (ACEMD beta).
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Pentti Kiesi

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Message 15973 - Posted: 25 Mar 2010, 12:36:52 UTC - in response to Message 15972.  

Thanks. I'll try it.

/Pena
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Message boards : Number crunching : How do I block Full-atom molecular dynamics tasks?

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