[Pw_forum] Problem with PWCOND

[Vladislav Borisov]

Dear Dr. Smogunov,

> 
> Date: Wed, 26 Mar 2014 17:11:38 +0100
> From: Alex Smogunov <asmogunov at gmail.com>
> Subject: Re: [Pw_forum] Problem with PWCOND
> 
> Dear Vladislav.
> The first problem has been fixed some time ago, try to take
> more recent (or CVS) version ...
> regards,
> Alexander
> 

Thanks a lot for your advice. I installed the latest version
from the SVN repository and everything works perfect.


Dear Dr. Giannozzi,

> 
> Date: Wed, 26 Mar 2014 18:57:45 +0100
> From: Paolo Giannozzi <paolo.giannozzi at uniud.it>
> Subject: Re: [Pw_forum] Problem with PWCOND
> 
> On Wed, 2014-03-26 at 17:01 +0100, vborisov wrote:
> 
>> init         :    432.25s CPU  18519.07s WALL (       1 calls)
> 
> in PWCOND/src/do_cond.f90, place some calls to print_clock('init')
> between the calls to start_clock('init') and stop_clock('init').
> With a few attempts you should be able to locate where all this
> time is spent (or more exactly, wasted)
> 
> Paolo
> --
>  Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>  Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>  Phone +39-0432-558216, fax +39-0432-558222
> 
> 

Thank you for your help. Today we came basically to the conclusion
that the calculation for a single k-point using only one processor
doesn't show such a waste of time, so we decided to stick to this
configuration.


With kind regards,
Vladislav Borisov


Max Planck Institute of Microstructure Physics
Weinberg 2, 06120, Halle (Saale), Germany
Tel No: +49 345 5525448
Fax No: +49 345 5525446
Email: vborisov at mpi-halle.mpg.de