charmm scalability on 2.4 kernels
Eray Ozkural (exa)
erayo at cs.bilkent.edu.tr
Sat Jan 5 13:55:42 PST 2002
On Saturday 05 January 2002 20:10, Steve Fellini wrote:
> Hi All,
> Many of our users run charmm dynamics using Ewald/PME calculations,
> which require 3D FFTs. When run in parallel on a cluster, these
> calculations scale moderately well to around 2-4 nodes (4-8
> processors) when run on either nodes on a Myrinet network, or on nodes
> running on fast ethernet with Linux 2.2.16 kernels with Josip
> Loncaric's tcp fix (see
> However for nodes running on ethernet with Linux 2.4.12 (i.e., without
> the tcp fix) scalability is very poor - so much so that there's no
> point in running on more than one node (see
> http://biowulf.nih.gov/charmm-bench/image004.gif and image005.gif).
This is rather surprising, I'd expect 2.4.x to actually improve upon 2.2.x.
It was said before on this list that 2.4 already incorporates TCP fixes. Has
anybody met a similar situation before?
Eray Ozkural (exa) <erayo at cs.bilkent.edu.tr>
Comp. Sci. Dept., Bilkent University, Ankara
GPG public key fingerprint: 360C 852F 88B0 A745 F31B EA0F 7C07 AE16 874D 539C
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