[gmx-users] Re: Power4 : Trying to install...

[Erik Lindahl]

Hi Marc,

This sounds as something I'll have to look in to, but it might take a 
couple of days before I have time to do it :-)

Cheers,

Erik

On Jun 10, 2004, at 3:58 PM, Marc Baaden wrote:

>
> Hi again,
>
> I can sort of confirm Pim's report. I must admit that the 
> configure/make
> went much more smoothly in my case, but the final result is similar. I 
> can
> indeed also run the polymer benchmark, but no water simulations.
> Depending on how I compile the code (eg qstrict option, -g, 
> optimization
> etc) I obtain slightly different error messages, which don't really 
> help
> in finding the error.
>
> spoel at xray.bmc.uu.se said:
>>> the tpr can be compared using gmxcheck -s1 -s2 or dumped using
>>> gmxdump, allowing you to test tpr reading on IBM.
>
> I checked it. The tpr is ok ! (eg gmxdump on power4 is the same as 
> under
> linux) But as I said, the linux one runs fine and the power4 one bombs
> out with the Warning: Only triclinic boxes with[..] error !
>
> Can it be that gmxdump works ok, but when the actual data is loaded 
> into
> memory there is something fishy ? (I am thinking along 32 vs 64 bits or
> so) ..
>
>
> Maybe someone who has a working gmx3.2.1 mdrun for Power4 wants to send
> me a static executable :)) ..
>
>   Marc
>
> -- 
>  Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
>  mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
>  FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217
>
>
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