On Thu, Aug 4, 2011 at 4:18 AM, Mahdi Faqieh nasiri
<mahdi_fn109 at yahoo.com> wrote:
> Dear all,
> I have an error in output file for scf calculation,
>
> ? ? ? ? k( ? 24) = ( ?-0.4285714 ? 0.4123930 ? 0.0000000), wk = ? 0.0816327
> ? ? ? ? k( ? 25) = ( ?-0.4285714 ?-0.0824786 ? 0.0000000), wk = ? 0.0816327
> ? ? ?G cutoff = ? 83.6540 ?( ?23611 G-vectors) ? ? FFT grid: ( 20, 20,160)
> ? ? ?G cutoff = ? 57.9143 ?( ?13733 G-vectors) ?smooth grid: ( 15, 15,135)
> rank 3 in job 24 ?mzmr-desktop_51851 ? caused collective abort of all ranks
> ? exit status of rank 3: killed by signal 11
>
> how can i fix this error?
> I think it appear from wrong ?k_point? and ?ecutwfc?.
> The following is a k_point and ecutwfc:
> ecutwfc =50 ,
> ecutrho = 300 ,
> K_POINTS {automatic}
> 7 ?6 ?1 ? ? 0 ?0 ?0
This should not relate to QE (QE error usually comes with a CRASH information)
You should check your compilation, network connection, MPI, hardware,...
Also, you should try to run with less number of cores if possible.
--------------------------------------------------
Duy Le
PhD Candidate
Department of Physics
University of Central Florida."Men don't need hand to do things" > Mahdi Faghih nasiri > MSC, > Guilan University, > Rasht, Iran. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
