[gmx-developers] Cray XD-1

Erik Lindahl lindahl at sbc.su.se
Thu Oct 13 21:05:24 CEST 2005


In principle yes - they are running Linux. Since it contains Opteron  
processors it should even be incredibly fast.

However, the caveat is that we haven't tried it ourselves, so it  
might need a tweak or two in the configuration script, partly  
depending on the compiler you use.

The safest bet is to use GCC. This will still give you great  
performance if the x86-64 assembly loops are enabled, since our  
assembly kernels are just passed through the compiler.



On Oct 13, 2005, at 8:26 PM, Scott Thibault wrote:

> Hi,
> Does gromacs support this platform?
> Thanks,
> --Scott
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Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

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