On Tuesday 18 July 2006 12:21, Huiqun Zhou wrote: > I'm doing structural optimization for chromite with calcium ferrite > structure while changing b/a and c/a at fixed volume. But for every > run with different pair of b/a and c/a, I alway got following error > after 3-5 rounds of SCF calculations:
> Writing output data file fecr2o4-cf-relax.save > > second order charge density extrapolation > rank 1 in job 170 woodcrest_32906 caused collective abort of all ranks > exit status of rank 1: return code 220 > The job was running parallely on one compute node with 4 CPU cores > (Intel woodcrest). > > Did I do anything wrong? difficult to say. Is it reproducible? does it happen on other machines or with other compilers or in serial execution ? If it is not reproducible it may not be related to the code itself P. -- Paolo Giannozzi Phone: +39/050-509876 DEMOCRITOS and SNS Fax: +39/050-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
