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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