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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
