[Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg

Антон Литвиненко tenebrosus.scriptor at gmail.com
Sun Jan 20 02:26:39 CET 2013

Am 19.01.2013 20:36, schrieb Filippo Spiga:
> I perfectly understand your point. I recently add the support to
> OpenBLAS (check README.GPU) because not everybody can use Intel
> compilers. QE-GPU builds automatically the library with
> multi-threading support. Easy to do, no need to modify make.sys! You
> may want to try it...
Mmm... I've checked README.GPU of the last versions and found no
mentions of OpenBLAS. Should I check SVN?

Anyway, these are good news.
> Your card has compute capability "20", CUDA 5.0 is the best choice (if you have a old version you might have to upgrade the NVIDIA driver too).
When the system was installed, 4.1 was the last version. Unfortunately,
I can't upgrade the system often, because the workstation is physically
located in Moscow. But if CUDA version matters, I'll consider an upgrade
on my next visit.
> Remember that You can restart a run performed using QE-GPU with
> standard CPU-only code and vice-versa. Feel free to ask more if you
> need clarifications.
Do You mean "restart_mode" and "startingwfc" fields?

Nice to know the versions are compatible.

Anton S. Lytvynenko,

L.V.Pisarzhevskii Institute of Physical Chemistry of the National
Academy of Sciences of Ukraine.

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