Re: AW: Regarding NAMD installation

From: Pragya Priyadarshini (pragya_at_imtech.res.in)
Date: Mon Aug 17 2015 - 04:38:29 CDT

 

Dear Geist

Thank you so much for your response. Will you please suggest which NAMD
version I should download and install.

Regards

On 2015-08-17 15:02, Norman Geist wrote:

> No, you don't want to use a single node version on a infiniband connected cluster, cause you will not be able to use multiple nodes for one simulation for speedup.
>
> Norman Geist
>
> VON: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] IM AUFTRAG VON Pragya Priyadarshini
> GESENDET: Montag, 17. August 2015 09:45
> AN: namd-l_at_ks.uiuc.edu
> BETREFF: namd-l: Regarding NAMD installation
>
> Dear NAMD user,
>
> I want to install on
>
> Intel xeon based multi core multi node linux cluster. Each node is connected via infiband where OpenFabrics OFED is not installed.
>
> Will LINUX86_64-MULTICORE copy provide best results in terms of speed up and accuracy? I am confused because copy mentioned that this is for 64-BIT INTEL/AMD SINGLE NODE. Please suggest if this will work for above mentioned system configuration.
>
> Thanks and Best Regards
>
> --
> Pragya Priyadarshini
>
> Junior Research Fellow
>
> C/o Dr. Balvinder Singh
>
> Bioinformatics Center (G N R P C)
>
> Institute of Microbial Technology-CSIR
>
> Sector 39A, Chandigarh-160036, INDIA

-- 
Pragya Priyadarshini
Junior Research Fellow
C/o Dr. Balvinder Singh
Bioinformatics Center (G N R P C)
Institute of Microbial Technology-CSIR
Sector 39A, Chandigarh-160036, INDIA
 

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