[gmx-users] Re:Re:Problem of mdrun_d in CVS VERSION 3.3_beta_20050823

[David van der Spoel]

On Thu, 2005-08-25 at 17:03 +0800, xu yechun wrote:
> On Thu, 2005-08-25 at 15:21 +0800, xu yechun wrote:
> > Dear David,
> > 
> >    Thank you very much for the answer. But the fact is that there is more 
> 
> > than 2GB memory in the computer(128 CPU, SGI Origin3800). The top 
> > information show that there is about 33GB memory free. 
> In that case you probably have to compile in 64 bit mode. Make an extra
> gromacs installation for that as it will be slower for MD simulations.
> 
> Dear David,
>   
>    Thank you for the suggestion!
> 
>   Would you please tell me some details(options) for compile 64 bit mode on 
> SGI machine? I did not find such answer on the mail list. Thansk a lot!
You need option -64 for the compiler. Check compiler manuals.

> 
> Best regards
> Yechun
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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