GPUGRID project details

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#1 GPUGRID project details

Post by Alez » Sat Nov 02, 2013 3:39 pm

GPUGRID

http://www.gpugrid.net/

Volunteer computing for biomedicine

GPUGRID.net is a distributed computing infrastructure devoted to biomedical research. Thanks to the contribution of volunteers, GPUGRID scientists can perform molecular simulations to understand the function of proteins in health and disease.


Research technique
Molecular Dynamics Simulations

Molecular dynamics (MD) is a form of computer simulation in which atoms and molecules are allowed to interact for a period of time by approximations of known physics, giving a view of the motion of the atoms. Because molecular systems generally consist of a vast number of particles, it is impossible to find the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. It represents an interface between laboratory experiments and theory, and can be understood as a "virtual experiment". MD probes the relationship between molecular structure, movement and function. Molecular dynamics is a multidisciplinary method. Its laws and theories stem from mathematics, physics, and chemistry, and it employs algorithms from computer science and information theory. It was originally conceived within theoretical physics in the late 1950s, but is applied today mostly in materials science and biomolecules. Read more
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#2 Re: GPUGRID project details

Post by davidBAM » Sat Jan 04, 2020 4:22 pm

Nice quote on the GPUgrid website from @Granowski :clap: :clap: :clap: Well said Gregg

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#3 Re: GPUGRID project details

Post by Granowski » Sat Jan 04, 2020 4:34 pm

thank You ... sincerely, Gregg Roman Granowski
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#4 Re: GPUGRID project details

Post by SolidAir79 » Sun Aug 22, 2021 9:47 am

Gpugrid's new gpu wu's need libboost-filesystem1.74.0 which is on Ubuntu 21.04 (Hirsute Hippo) not sure if it's on any other Linux OS but this seems to be the key to running the new AceMD wu's.
After upgrading all three systems they are crunching the wu's as apposed to failing after 3 secs.
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#5 Re: GPUGRID project details

Post by davidBAM » Sun Aug 22, 2021 4:29 pm

Yup - I can confirm that the problem occurs on 2070 Super on Ubuntu 20.04 so not just limited to 30 Series.

Bugger, I was planning to stay with LTS releases but I guess needs must
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#6 Re: GPUGRID project details

Post by SolidAir79 » Sun Aug 22, 2021 7:52 pm

Average of about 6300 secs scores 107,680 points on my 3080ti's only getting one or two wu's a day on each of the machines.

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