[CP2K:2182] Re: PDC

Teodoro Laino teodor... at gmail.com
Fri Jul 24 15:55:47 UTC 2009


No.. that keyword does not work in a simple SCF. It may possibly save 
memory only in a MD run.
Teo

agilemolecule wrote:
> This is a pity. I have 8 GB, but Windows does not give one process
> more than 2 GB. Whether the options that reduce the need for memory
> and is not impaired significantly electrostatics? I use only
>
> & GLOBAL
>    SAVE_MEM
> & END GLOBAL
>
>
>
> On Jul 24, 5:39 pm, Teodoro Laino <teodor... at gmail.com> wrote:
>   
>> of course you can go beyond 16 Ang!
>> You need a machine with more memory.. or alternatively more processors
>> (memory is also distributed)..
>>
>> Teo
>>
>>     
> >
>   




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