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. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130120/385e0302/attachment.html
