[Wien] problem with lapw2para

[Peter Blaha]

The error message is misleading. It stems from the time where we detected from the
case.inst file the value for "case" in parallel-calculations .

Nowadays this is done by:

setenv PWD $cwd
set case    = $PWD
set case    = $case:t
if ($case == "") then
   echo "ERROR: no case.inst-file -> exit"

This means from the name of the "current working directory".

The error could be caused by a missing "directory" (filesystem) on the remote computer.
Either the filesystem where your calculation resides is not mounted on one of the
remote computers, or the NFS system is overloaded and temporarely cannot give byk the information,....

Try to use a SCRATCH variable pointing to a local directory to reduce NFS traffic.


Am 18.01.2011 08:53, schrieb Aboudi Hamouda:
> Dear Wien2k users,
> I have this problem when I run parallel calculations. This arrive only with some systems and not all the systems. ..
> -> starting parallel LAPW1 jobs at Mon Jan 17 23:27:58 AST 2011
> running LAPW1 in parallel mode (using .machines.help)
> 4 number_of_parallel_jobs
> cn030(2) 283.001u 0.695s 4:44.13 99.85% 0+0k 0+0io 0pf+0w
> cn030(2) 286.373u 1.008s 4:47.76 99.87% 0+0k 0+0io 0pf+0w
> cn030(2) 296.787u 0.532s 4:57.78 99.85% 0+0k 0+0io 0pf+0w
> cn030(2) 281.630u 1.117s 4:43.13 99.86% 0+0k 0+0io 0pf+0w
> cn030(1) 128.725u 0.353s 2:09.25 99.86% 0+0k 0+0io 0pf+0w
> cn030(1) 125.805u 0.524s 2:06.68 99.72% 0+0k 0+0io 0pf+0w
> Summary of lapw1para:
> cn030 k=10 user=1402.32 wallclock=1408.73
> 0.259u 0.479s 6:57.75 0.1% 0+0k 0+0io 0pf+0w
>>  lapw2 -up -p (23:34:55) running LAPW2 in parallel mode
> ERROR: no case.inst-file -> exit
> 0.009u 0.023s 0:00.06 33.3% 0+0k 0+0io 0pf+0w
> error: command /home/aboudi/wien2k/lapw2para -up uplapw2.def failed
>
>>  stop error
>
> It seems that wien2k can't find inst file. when I check my directory, I see the inst file. Please can someone help me to overcome this problem ?
> Best regards,
>
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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