[Pw_forum] PW taskgroups and a large run on a BG/P

[Lorenzo Paulatto]

On Wed, 28 Jan 2009 22:37:06 +0100, Nichols A. Romero <naromero at gmail.com> wrote:

> David,
>
> Seems like PWSCF calls Scalapack for its Cholesky decomposition.

pwscf does not use scalapack, unless specifically compiled for it, using the -D__SCALAPACK flag.

Per default the code uses a home-brew version of parallel davidson algorithm implemented by C. Cavazzoni. 


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