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

[Jennifer Wohlwend]

Thank you! That was the problem, I reduced the number of processors and everything finished.
 
~J Wohlwend
 
UTC
 

> From: giannozz at democritos.it
> Date: Tue, 25 Sep 2012 08:18:00 +0200
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] Error in routine cdiaghg S matrix not positive definite
> 
> 
> 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.
> 
> P.
> ---
> 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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