Please modify flfrc line from flfrc = Al4.fc to flfrc = 'Al4.fc' ~~~~ It is a small careless mistake~
-- GAO Zhe CMC Lab, MSE, SNU, Seoul, S.Korea At 2011-07-13 22:47:39?"Guntram Schmidt" <guntram.schmidt at chemie.uni-halle.de> wrote: >Dear All, > >I'm trying to get QHA working on our clusters. >When I try to run the first example (Al), I get the above error. >I don't know this matdyn - here is the corresponding input-file, created >by Run_Me: > > >&input > amass(1)=26.98, > asr='crystal', > flfrc=Al4.fc, > flfrq='frequency' >&end > 455 > .50000 .50000 .00000 1.00000 >... >... >... > .50000 .04167 .04167 1.00000 > .50000 .00000 .00000 1.00000 >EOF > > >The error message is: > >%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > 0: from matdyn : error # 49 > 0: reading input namelist > 0: >%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > 0: > 0: stopping ... > > >I had to start it via our mpi-loadleveler - which shouldn't affect this >errors, imho. > >Any ideas on this? >Thanks, >Guntram >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110714/5d93517e/attachment.htm
