Dear SIESTA developers

Actually I tested the memory usage with the SZP basis
against the SZ basis. For the bulk Si, SZP
calculations require twice as much memory as the SZ
calculations. However for the nanowire (2600 atoms),
the memory usage jumps from 3.4 GB to more than 14GB!
Is it normal? Please give me some hints!

Thanks,

Cherry


--- "Cherry Y. Yates" <[EMAIL PROTECTED]> wrote:

> Dear SIESTA developers,
> 
> I am running SIESTA for some silicon nanowires, the
> memory of each node in my cluster is 4GB. when the
> atom is less than 1000, the vmem and mem is roughly
> the same, for example:
> 
>     resources_used.mem = 2213804kb
>     resources_used.vmem = 2258976kb
> 
> Then after that, the vmem increases quickly, e.g.,
> for
> a 1800-atom system,
> 
>     resources_used.mem = 3894052kb
>     resources_used.vmem = 6427792kb
> 
> It looks like SIESTA knows 4GB is the limit for my
> machine, and it uses swap. Is it right? Do you know
> how to cut some memory usages to fit my machine? It
> really slows down a lot...
> 
> Thanks,
> 
> Cherry
> 
> 
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