[QE-users] Possible problems of using "memory = 'small'"

Lenz Fiedler l.fiedler at hzdr.de
Tue Jun 21 14:12:14 CEST 2022


Hi Paolo,


Thank you for your answer. That sounds great, since I have no 
reading/writing planned with my setup that should not be an issue.


Kind regards,

Lenz

-- 
Lenz Fiedler, M. Sc.
PhD Candidate | Matter under Extreme Conditions

Tel.: +49 3581 37523 55
E-Mail: l.fiedler at hzdr.de
https://www.casus.science

CASUS - Center for Advanced Systems Understanding
Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)
Untermarkt 20
02826 Görlitz

Vorstand: Prof. Dr. Sebastian M. Schmidt, Dr. Diana Stiller
Vereinsregister: VR 1693 beim Amtsgericht Dresden

On 6/21/22 13:23, Paolo Giannozzi wrote:
> Once upon the time, the only limitation of 'memory="small"' was the 
> impossibility to read data produced with N processors on M processors, 
> if M != N (where N and M are actually "processors used for plane-wave 
> parallelization"). This should still hold (no warranty).
>
> Paolo
>
> On 6/21/22 12:40, Lenz Fiedler wrote:
>> Hi users,
>>
>> I hope this is not a duplicate, but I am trying to work with a big 
>> cell and am running into memory issues. I tracked the issues 
>> (partially) down to ggen, and found that by setting "memory" to 
>> "small" (as suggested in the comments in the code) the problems 
>> disappeared, because the no_global_sort was now set to true.
>>
>> My question now is: are there any known limitations to this? Anything 
>> one should be careful about when using "memory = 'small'" or can I 
>> just use it whenever?
>>
>> Kind regards,
>>
>> Lenz Fiedler, M. Sc.
>> PhD Candidate | Matter under Extreme Conditions
>>
>> Tel.: +49 3581 37523 55
>> E-Mail: l.fiedler at hzdr.de
>> https://www.casus.science
>>
>> CASUS - Center for Advanced Systems Understanding
>> Helmholtz-Zentrum Dresden-Rossendorf e.V. (HZDR)
>> Untermarkt 20
>> 02826 Görlitz
>>
>> Vorstand: Prof. Dr. Sebastian M. Schmidt, Dr. Diana Stiller
>> Vereinsregister: VR 1693 beim Amtsgericht Dresden
>>
>>
>>
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