Yu,
In addition to the usersguide [1] describing use of "run_lapw -p" along
with an appropriately set up .machines file, don't forget about the
WIEN2k-notes of the University of Texas [2], the workshop video on
Parallelization [3], and mailing list archive for previous posts on the
topic of mpi parallelization (for example [4-10] are just a few of the
many posts existing in the archive).
[1] http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf
[2] http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html
[3] http://susi.theochem.tuwien.ac.at/onlineworkshop/
[4]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08702.html
[5]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00985.html
[6]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18967.html
[7]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13632.html
[8]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15984.html
[9]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05622.html
[10]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09334.html
[11]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17627.html
Kind Regards,
Gavin
On 7/5/2020 9:02 PM, Laurence Marks wrote:
Please carefully read the user guide -- "mpirun -np 4 run_lapw" is not
how it works.
Also, to use mpi you need scalapack, which you did not mention. If you
only have 4 cores you do not want to use mpi.
_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu <http://www.numis.northwestern.edu>
On Sun, Jul 5, 2020, 21:57 晨晨 <chin...@qq.com <mailto:chin...@qq.com>>
wrote:
Dear W2k developers and users,
The wien2k version is 19.2 on Linux with gfortran, OpenBlas and
openmpi. Now executing parallel run_lapw occurs errors.
When I run the command “run_lapw”, there is not any error. When I
run the command “mpirun -np 4 run_lapw”, there are some errors. I
have tested the openmpi installed successfully.
1. The following error occurs when running run_LAPW in parallel on
four processors：
[YG_cheny@yg TiC]$ mpirun -np 4 run_lapw
STOP LAPW0 END
STOP LAPW0 END
mv: cannot move `.tmp' to `TiC.dayfile': No such file or directory
STOP LAPW0 END
STOP LAPW0 END
printf: write error: No such file or directory
> stop error
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
-------------------------------------------------------
> stop error
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero
status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[45157,1],1]
Exit code: 9
2. Since the file TiC. Dayfile exists, I ran the DOS2UNIX command
in order to solve the problem. Then, "No such File or Directory"
message disappeared.
3.However, run the command “mpirun -np 4 run_lapw”again and the
following error message still appears:
[YG_cheny@yg TiC]$ mpirun -np 4 run_lapw
STOP LAPW0 END
STOP LAPW0 END
STOP LAPW0 END
> stop error
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
-------------------------------------------------------
> stop error
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero
status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[46028,1],3]
Exit code: 9
--------------------------------------------------------------------------
Sincerely yours Yu
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