[Pw_forum] Crash when running pw.x for relaxing a structure

[Paolo Giannozzi]

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.
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