[Pw_forum] simulations at 100 nodes

[Ngoc Linh Nguyen]

Dimpy Sharma wrote:
>
> Hi everyone,
> I have to run my nscf calculation at 100 nodes for just 5 k points, I 
> have tired running at 80 nodes.but in that case it crashes without any 
> error message.I cannot increase my k points more than 5.And I want to 
> plot the band structure so,I need atleast 25 kpoints. Can anyone give 
> me some advice ?
>
Hardly to image the problem that you got. Maybe it's resulted by your 
calculating system or maybe the input parameters result an inefficient 
memory.

It's better to enclose the input file to be easier for everyone to consider.

Best regards,

Linh


>
> Thanks a million !
>
> Dimpy (PhD)
>
> UCC,Ireland
>
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 Nguyen Ngoc Linh, PhD Student
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