[Pw_forum] simulations at 100 nodes

[Duy Le]

You need more memory for large number of k-points.
The easiest solution: Do 5 different band structure calculations for 5
different sets of k-points.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Mon, Mar 8, 2010 at 10:24 AM, Ngoc Linh Nguyen <nnlinh at sissa.it> wrote:
> 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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>
>
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