Hi have u by any chance changed the number of processors? I too had this problem as I had changed the number of processors. Adding wf_collect= .true. in the input file under &control solved my problem. best wishes amitha
On 07.10.2014 20:38, Juliana Morbec wrote: > Dear All. > > I am running vc-relax calculation for Ta3N5 with an extra charge > (tot_charge=-1). The calculation went well during the BFGS Geometry > Optimization. However, in the "final scf calculation at the relaxed > structure" my job crashed with the error > > _ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%_ > _ Error in routine read_rho_xml (1):_ > _ dimensions do not match_ > _ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%_ > > I was using 576 processors, with -npool 4 -npw 32 -ndiag 16. Does > anyone know which could be the problem in this case? > > I will really appreciate any help in this issue on this. > > Best wishes, > > Juliana Morbec > > ----- > Juliana M. Morbec, Ph.D. > Postdoctoral Researcher > Institute for Molecular Engineering, The University of Chicago > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
