[gmx-users] doubel precision

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Wed Aug 27 11:00:00 CEST 2003

Whem I compiled double precision of 3.1.4, it seems work,
it has such printing:

Testing x86 processor CPUID...

Testing x86 SSE2 capabilities...
No SSE2 support found for this CPU.

In this case, it is better to recompile the program switch off the
assembly loop and enable fortran ?
--disable-x86-asm --enable-fortran

Dr. Yuguang Mu
Institute for Physical and Theoretical Chemistry
J.W. Goethe University Frankfurt am Main
Marie Curie Str. 11
60439 Frankfurt/Main, Germany
Tel: +49-(0)69-798-29711

On Thu, 21 Aug 2003, Bert de Groot wrote:

> Dear all,
> we're about to renew our cluster and I'd like to share our thoughts, and
> would very much appreciate if you could share your experience/thoughts too.
> There have been some posts on this list about this issue, but there have
> been some hardware developments since then, so I figured it would make sense
> to post once again.
> So far we've been very happy with our dual athlons (apart from a few stability
> issues), but scaling is not that great, especially with PME. We have a few nodes
> with myrinet, but even there most jobs run on maximally 2 dual nodes
> (4 processors), because beyond that the scaling simply breaks. We've also
> played with gigabit ethernet and the M-VIA protocol, but these only yield
> marginal improvements, especially on the faster nodes.
> Some points that we considered are:
> -the latest generation of SCALI cards seem to have a quite promising
>  price/performance ratio. Does anyone have recent experience with SCALI?
> -what about quad Xeon boards?
> -any alternative to scali or myrinet for improved low latency networking?
> -can we expect developments in gromacs in the near future that will
>  reduce the network load/improve scaling? (I don't want to push the developers
>  here, they're doing a splendid job. It's only to optimise the planning).
> cheers,
> Bert
> ____________________________________________________________________________
> Dr. Bert de Groot
> Max Planck Institute for Biophysical Chemistry
> Computational biomolecular dynamics group
> Am Fassberg 11
> 37077 Goettingen, Germany
> tel: +49-551-2011306, fax: +49-551-2011089
> email: bgroot at gwdg.de
> http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
> ____________________________________________________________________________
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