[Wien] problem with MPI parallization of LAWP1: FERMI - Error

[Gavin Abo]

Your .machines file seems okay.


The error indicates that LAPW1 failed.  Other than that, the error 
message doesn't look much more helpful.


I'm guessing that is from the standard output/error file for the job.


What about the case.dayfile, *.error files, or hidden dot files [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15549.html 
], any additional error messages in them that would help indicate 
further why it failed?


You can search the mailing list archive [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/maillist.html 
] for the "orte_base_help_aggregate" or other keywords.


For example, perhaps lapw1_mpi was compiled with the wrong blacs library:


https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07254.html


On 10/11/2017 2:27 AM, saqib wrote:
>
> Dear WIEN2K users,
>
>
> I am currently trying to run a calculation for large organic molecule 
> on WIEN 14.2. Due to nature of my system, K-point parallization is 
> useless so I have to use MPI parallization.
>
> I am using following .machines file to run on node 'fermi' with 4 cores:
>
>
> lapw0:fermi:4
> 1:fermi:4
> granularity:1
> extrafine:1
>
> While lapw0 runs without any problem, LAPW1/LAPW2 crashes with 
> following message:
> .
> .
> [fermi:119828] 3 more processes have sent help message 
> help-mpi-api.txt / mpi-abort
> [fermi:119828] Set MCA parameter "orte_base_help_aggregate" to 0 to 
> see all help / error messages
> mptest.scf1_1: No such file or directory.
> grep: *scf1*: No such file or directory
> FERMI - Error
> cp: cannot stat `.in.tmp': No such file or directory
>
> The same calculation runs without any problem for a single core. I 
> will really appreciate if someone can help me resolve this issue.
>
> with best regards
> Saqib Javaid
> UNIST, Korea.
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