[Pw_forum] Error in routine cdiaghg S matrix not positive definite

Paolo Giannozzi giannozz at democritos.it
Tue Sep 25 08:18:00 CEST 2012

On Sep 24, 2012, at 22:28 , Jennifer Wohlwend wrote:

>      Parallel version (MPI), running on    32 processors
>      R & G space division:  proc/pool =   32

32 processors for crystal Al? wow!

As a rule, parallellism should work even for too many processors,
but if you push the code into extreme regions, it may still fail.

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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