Re: AW: Testing NAMD scalability

From: Eric Germaneau (
Date: Mon Mar 21 2016 - 03:15:06 CDT


I didn't say I don't have any MD experience, I'm just not a namd user.

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On Mon, Mar 21, 2016 at 3:46 PM, Norman Geist < [] > wrote:
Similar question have been asked in the past. Maybe search the mailing list archive. Away from that, the NAMD folks do offer benchmark systems of various size for download, which are a good point to start.

BTW. as I pointed out in earlier posts, I highly doubt that anybody without MD experience can carry out reliable benchmarks.

Norman Geist

Von: [] Im Auftrag von Éric Germaneau
Gesendet: Samstag, 19. März 2016 02:32
Betreff: namd-l: Testing NAMD scalability

Dear all,

I'm not a NAMD user but I nned to test its scalability on our facility.
Can someone tell me how to generate different size of the same system?
Can I take any of those case studies [] and scale them?
Thank you.

Éric Germaneau ( 艾海克 ), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China Mobi:+86-136-4161-6480 []

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