AW: Regarding NAMD installation

From: Norman Geist (
Date: Mon Aug 17 2015 - 04:32:19 CDT

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: [] Im Auftrag von Pragya Priyadarshini
Gesendet: Montag, 17. August 2015 09:45
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

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