[Pw_forum] error in the NSCF calculation with a large number of kpoints.

[Axel Kohlmeyer]

On Mon, Apr 21, 2014 at 12:08 AM, Dingfu Shao <dingfu.shao at gmail.com> wrote:
> Dear QE users,
>
> I want to plot a fermi surface with a very dense kpoints, so that I
> can do some calculation such as the Fermi surface nesting function. A
> smaller kpoints number, such as 1200, works fine. But when I take the
> nscf calculation with a large kpoints number, such as 2000, the error
> happens as forllowing:
>
> [proxy:0:0 at node6] HYD_pmcd_pmip_control_cmd_cb
> (./pm/pmiserv/pmip_cb.c:939): process reading stdin too slowly; can't
> keep up
> [proxy:0:0 at node6] HYDT_dmxu_poll_wait_for_event
> (./tools/demux/demux_poll.c:77): callback returned error status
> [proxy:0:0 at node6] main (./pm/pmiserv/pmip.c:206): demux engine error
> waiting for event
> [mpiexec at node0] control_cb (./pm/pmiserv/pmiserv_cb.c:202): assert
> (!closed) failed
> [mpiexec at node0] HYDT_dmxu_poll_wait_for_event
> (./tools/demux/demux_poll.c:77): callback returned error status
> [mpiexec at node0] HYD_pmci_wait_for_completion
> (./pm/pmiserv/pmiserv_pmci.c:197): error waiting for event
> [mpiexec at node0] main (./ui/mpich/mpiexec.c:331): process manager error
> waiting for completion
>
>
>
> Does anybody know what is the porblem?

first of all, there are messages from your MPI library. my guess is
that you are overloading your compute node with i/o. probably caused
by excessive swapping. do you use a sufficient number of nodes and
k-point parallelization? you most likely best talk to your system
administrators, since overloading nodes can cause disruptions in the
overall service of the cluster and then work with them to run your
calculation better.

axel.


>
>
> Best regards,
>
> Yours Dingfu Shao
>
>
> --
>
> Dingfu Shao, Ph.D
>
> Institute of Solid State Physics
>
> Chinese Academy of Sciences
>
> P. O. Box 1129
>
> Hefei 230031
>
> Anhui Province
>
> P. R. China
>
> Email: dingfu.shao at gmail.com
>
> ________________________________
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum



-- 
Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.