[Pw_forum] QE-GPU compilation problems

Uri Argaman argamanu at post.bgu.ac.il
Tue Sep 23 16:15:47 CEST 2014


Dear Ivan,

Thank you very much for your answer.

It's possible that this problem is due to memory issues, but I have GPU
with 1GB and from tests that I've done a simple PW calculation of one atom
per unit cell doesn't crash with K points:
2 2 2

but does crash with K points:
3 3 3

Both calculations are preformed with ecutwfc=10.

It doesn't seems reasonable that 1GB GPU couldn't handle such a simple
calculation.

Thanks in advance,

*Uri Argaman
**Ben-Gurion University
**Israel*


Dear Uri,
>
> from the error message I believe the memory of your GPU is simply not
> capable enough to run such simulation.
> Indeed, it fails during an operation of allocation on the GPU memory.
>
> Kind Regards,
>
> Ivan
>
>
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