Dear Paolo, plase find here the input file and the related error message which is outputted. The test works until the execution of q2r; at that point the calculation stops. The error message is:
running q2r...At line 356 of file q2r.f90 (unit = 51, file = 'a2Fq2r.51') Fortran runtime error: Bad real number in item 1 of list input Error condition encountered during test: exit status = 137 Aborting I know there are too few k and q points to obtain a reliable calculation; this was only a simple test to make the error show up. Thanks Samantha > sama at ns.dcci.unipi.it wrote: > >> In line 358 of code q2r.f90 is read the variable *nstar*, >> which for count_q=2 takes the value nstar=3. >> In the next subroutine read_gamma the code expects then >> a series of information dimensioned 3, while actually >> in file a2Fq2r.51 the series is dimensioned 6. >> In this way, in the next count_q, the code does not find >> variables deg, ef and dosscf, and then stops > > please provide a test job so that your error can be reproduced, > or file a bug report on qe-forge.org > > P. > -- > Paolo Giannozzi, Democritos and University of Udine, Italy > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: run_grafene Url: http://www.democritos.it/pipermail/pw_forum/attachments/20101203/5b7721d4/attachment.txt
