[Pw_forum] Problems with pwscf at FERMI (CINECA)

[Paolo Giannozzi]

Very strange. The number printed in the error message is 96^2,
so it looks like you have L in the augmentation function up to
95, instead of 4 as expected. Could you please put a copy of your
UPF files somewhere on Fermi where they can be read by anybody?

P.

On Wed, 2013-06-12 at 15:24 +0200, Pietro Bonfa' wrote:
> Dear All,
> 
> I have a problem running a simulation on the Fermi supercomputer hosted
> at Cineca. The same input runs fine on my local cluster (not sure if the
> scf loop will ever converge, the calculation exceeds the capabilities of
> my local resources)
> 
> I get the following error when I add an interstitial hydrogen atom to my
> system:
> 
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      task #      1000
>      from  ylmr : error #      9216
>      l > 25 or wrong number of Ylm required
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> 
> I checked the md5 hash of the H pseudo and concluded that the UPF is not
> corrupted.
> 
> I get the same error message both when using the version compiled by
> cineca (5.0.1 (svn rev. 9278)) and my own verison (5.0.2 (svn rev. 9656)).
> 
> You can find the input and the output of the calculation in attachment.
> 
> Thanks in advances for your help,
> Pietro
> 
> 
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222