[Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg

[Антон Литвиненко]

Am 19.01.2013 19:24, schrieb Filippo Spiga:
> You mean "OpenMP-only parallelization gives low performance than 4 MPI 
> without OpenMP"?
Yes.
> You mentioned ATLAS in a previous email. If you have Intel compiler 
> you also have Intel MKL library...
1. I had no Intel compiler when I built that version and knew a far less 
than now about high performance computing.
2. There are copyright limitations on that Intel software so I am also 
interested in alternative tools to avoid them.
> In case of QE-GPU, having 4 MPI on a multi-core workstation means 
> share the GPU among them and split by a factor of the number of the 
> MPI processes the available RAM on the GPU board (in your case 4). I 
> do not know what kind of GPU do you have but you would like to avoid 
> this scenario.
I use GeForce GTX 460 with 1Gb of memory onboard and I definitely want 
to avoid this scenario. I've just rebuilt QE.

And, probably, I should leave the heaviest tasks for x86-64 system with 
more memory...

Thanks again for clearing the situation.

Anton S. Lytvynenko,

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

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