[gmx-users] Domain decomposition

[Sergio Manzetti]

Thanks! I reduced the number to 4, and it works: 

gmx mdrun -v -dds 0.37 -nt 4 


Cheers 


Sergio Manzetti 

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From: "Justin Lemkul" <jalemkul at vt.edu> 
To: "gmx-users" <gmx-users at gromacs.org> 
Sent: Thursday, June 22, 2017 3:28:32 PM 
Subject: Re: [gmx-users] Domain decomposition 

On 6/22/17 9:22 AM, Sergio Manzetti wrote: 
> Checked the link, nothing written here on rcon and dds... 
> 

"Thus it is not possible to run a small simulation with large numbers of 
processors." 

Google will help you find more suggestions. 

-Justin 

-- 
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Justin A. Lemkul, Ph.D. 
Ruth L. Kirschstein NRSA Postdoctoral Fellow 

Department of Pharmaceutical Sciences 
School of Pharmacy 
Health Sciences Facility II, Room 629 
University of Maryland, Baltimore 
20 Penn St. 
Baltimore, MD 21201 

jalemkul at outerbanks.umaryland.edu | (410) 706-7441 
http://mackerell.umaryland.edu/~jalemkul 

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