[Pw_forum] 5.0.1 "cannot allocate spsi" in cegterg

Sat Jan 19 18:05:37 CET 2013

Am 19.01.2013 16:35, schrieb Filippo Spiga:
> I suggest to compile with "--disable-parallel" and avoid to use mpirun 
> if you plan to run in serial.
MPI parallelization on SMP CPU gave inferior performance than OpenMP on 
my systems one so I'd like to avoid it.

> Speaking about the memory, PaoloG already posted good suggestions to 
> reduce the memory footprint of the application. Only one thing: CG is 
> not GPU accelerated (yet).
Thanks a lot for the suggestions, I'll try them!

Anton S. Lytvynenko,

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