[Wien] Lapwso crashed when running the program in parallel mode

[Peter Blaha]

You are using probably a queuing system and the .machines file is generated on the fly
by your submitting script.

lapw1 will then read   .machines   and generates  .processes

All other parallel steps (lapwso, lapw2) use   .processes, not .machines.

Most likely you submitted a job with only    x lapwso -p

It then tries to use the .processes file (existing from a previous job), but of course
these hosts are not accessible for your current job.

Either run the lapw1/lapwso/lapw2 steps in one job, or modify your script and generate
a proper   .processes file.

Am 19.03.2012 07:10, schrieb Madhav Ghimire:
> Dear Peter Blaha and wien users,
>       I am facing problems in running the spin-orbit coupling in parallel mode while trying to calculate the band structure.
> Initially I could successfully run the scf cycles and able to calculate DOS. But when I run the program of band structure by invoking the command x lapwso -orb -c -up -p and x
> lapwso -orb -c -dn -p after x lapw1 -band -orb -c -up -p and x lapw1 -band -orb -c -dn -p, I observe an error as sorted below:
>
>
> [32] 10979
> ssh: connect to host r4i1n3 port 22: Connection timed out
> [1]    Done                          ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f  ...
>
> [9]    Done                          ( ( $remote $machine[$p] "cd $PWD;$t $exe ${def}_${loop}.def"; rm -f  ...
> ssh: connect to host r4i1n14 port 22: Connection timed out
> ssh: connect to host r4i1n14 port 22: Connection timed out

> **  LAPWSO crashed!
> 0.480u 1.000s 6:27.48 0.3%    0+0k 0+0io 3pf+0w
> error: command   /home/ghimire123/WIEN2k_11/lapwsopara -up -c lapwso.def   failed
> Hope some users also faced this type of error while handling parallel mode computation. Please have a look at it.
> In the meantime, I am
> Thank you in advance
> Best wishes
>
> --
> M. P. Ghimire
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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