AW: compress PSF into INTER

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Jun 07 2012 - 01:24:31 CDT

> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Cruz-Chu Eduardo Roberto
> Gesendet: Mittwoch, 6. Juni 2012 20:38
> An: namd-l_at_ks.uiuc.edu
> Betreff: namd-l: compress PSF into INTER
>
> Hi;
>

Hi

>
> I am trying to run a 6 million atom system. For that, I need to

Wow, that's heavy. My biggest system has 1.5 million ^^

> compress the PSF file into a INTER file. The NAMD wiki provide some
> brief explanation.
>
>
> http://www.ks.uiuc.edu/Research/namd/wiki/index.cgi?NamdMemoryReduction
>
>
> that is "b) add a field "genCompressedPsf on" in the configuration
> file".
>
>
> well, I did it using NAMD 2.8 and also NAMD 2.9. I also compiled NAMD
> with --with-memopt flag, and no success.

What exactly does "no success" mean? Is namd crashing with an error or
something?
We need some detail to identify the problem.

Regards

Norman

>
>
> Does anyone has an example?, a namd configuration file I can use as
> guide?.
>
>
> Below, I am attaching my namd configuration, the one that did not work.
>
>
> Any help, it would be really appreciated.
>
>
> Regards;
>
>
> Eduardo
>
>

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