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Scalapack
Posted: Thu Mar 17, 2011 12:10 am
by maurosgroi
Dear all,
I'd like to have some advice related to the necessity to use scalapack on a cluster composed by 24 cores (6 nodes with 4 core each) connected by Infiniband.
Does it make the code faster in comparison with standard lapack?
Thanks a lot in advance,
Mauro.
Re: Scalapack
Posted: Mon Mar 21, 2011 12:43 am
by mverstra
Hello Mauro,
for the moment scalapack does not replace lapack in abinit, but is used in specific parts, like the BSE code. Use is being extended, but certain things should certainly go faster. I would bet more on band and FFT parallelism for the moment, if you have a good network.
cheers
Matthieu
Re: Scalapack
Posted: Mon Mar 21, 2011 2:16 am
by Alain_Jacques
Dear Mauro,
If the purpose is to speed up processing, a proper use of accelerated BLAS/LAPACK will do the job - consider --with-linalg=atlas or mkl (and MPI of course as advised by Matthieu). Scalapack only has sense if your study is so large that it requires to distribute linalg memory on several nodes.
Kind regards,
Alain
Re: Scalapack
Posted: Mon Mar 21, 2011 9:59 pm
by maurosgroi
Dear Matthieu and Alain,
thanks a lot for the information!
My best regards,
Mauro.