[QE-users] memory problem

[Oleksandr Motornyi]

Dear Neelam

Other than this, it would be useful if you could also show the in/output 
files of your system. While it does not seem large the memory usage 
depends on the atoms/pseudopotentials you are using, size of the vacuum 
(if any).

Best

Oleksandr

On 06/07/2020 11:52, Michal Krompiec wrote:
> Dear Neelam,
> I am by no means an expert, but from my limited experience I can say 
> that 4GB of RAM is not a lot, to put it mildly - but at the same time, 
> your system isn't large. In this case, I wouldn't use any 
> parallelization on k-points (pw.x -npool 1) and make use of symmetry 
> as much as possible (correct ibrav instead of ibrav=0). You can save 
> memory by reducing ecutwfc (at the expense of accuracy) - so try 
> choosing pseudopotentials which give you desired accuracy at the 
> lowest ecutwfc (use https://www.materialscloud.org/discover/sssp to 
> guide you).
> Best,
> Michal
>
> On Mon, 6 Jul 2020 at 10:27, Neelam Swarnkar 
> <neelamswarnkar35 at gmail.com <mailto:neelamswarnkar35 at gmail.com>> wrote:
>
>     Dear expert and all
>
>     I am making the supercell of 2x1x1 total 24 no of atoms, and
>     perform scf calculation .but there is memory related problem
>     currently i am using 4gb RAM.
>
>     What can i do to solve this problem?
>
>     Thanks in advance
>     Neelam
>
>     _______________________________________________
>     Quantum ESPRESSO is supported by MaX
>     (www.max-centre.eu/quantum-espresso
>     <http://www.max-centre.eu/quantum-espresso>)
>     users mailing list users at lists.quantum-espresso.org
>     <mailto:users at lists.quantum-espresso.org>
>     https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
Oleksandr Motornyi
PhD, Data Scientist

France

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200706/b9c93699/attachment.html>