AW: AW: Regarding NAMD installation

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Aug 17 2015 - 05:22:11 CDT

You could try the ibverbs version , but this may require OFED. The best option might be compiliong namd yourself based on MPI.

 

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 11:38
An: namd-l_at_ks.uiuc.edu; Norman Geist <norman.geist_at_uni-greifswald.de>
Betreff: Re: AW: namd-l: Regarding NAMD installation

 

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> [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 <mailto: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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