[Wien] MPI error

[Fecher, Gerhard]

I guess that module does not work with tcsh 

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Laurence Marks [laurence.marks at gmail.com]
Gesendet: Sonntag, 2. Mai 2021 21:32
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] MPI error

Inlined response and questions

On Sun, May 2, 2021 at 2:19 PM leila mollabashi <le.mollabashi at gmail.com<mailto:le.mollabashi at gmail.com>> wrote:
Dear Prof. Peter Blaha and WIEN2k users,
Now I have loaded the openmpi/4.1.0 and compiled Wine2k. The admin told me that I can use your script in >http://www.wien2k.at/reg_user/faq/slurm.job<https://urldefense.com/v3/__http://www.wien2k.at/reg_user/faq/slurm.job__;!!Dq0X2DkFhyF93HkjWTBQKhk!G_67ZheBzKx4rn9SJ-7AOPNV2M9DFC6mHQ4b1S_sPZITO1RwQsLYLGNWwENJJwPKlowiXQ$> . I added this lines to it too:
module load openmpi/4.1.0_gcc620
module load ifort
module load mkl
but this error happened “bash: mpirun: command not found”.
The error is exactly what it says -- mpirun not found. This has something to do with the modules, almost certainly the openmpi one. You need to find where mpirun is on your system, and ensure that it is in your PATH. This is an issue with your OS, not Wien2k. However...

In an interactive mode “x lapw0 –p” and “x lapw2 –p” are executed MPI but “x lapw1 –p” is stoped with following error:
w2k_dispatch_signal(): received: Segmentation fault
Is this mpi mode? None of lapw0/1/2 can work in true parallel without mpirun, so there is something major wrong here. I doubt that anything really executed properly. For certain you cannot run lapw2 without first running lapw1. What is your .machines file? what is the content of the error files? (cat *.error).

First do "x lapw0 -p", send the .machines file and the last few lines of your *.output0*. Then we can confirm if that worked right, did not or what.

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I noticed that the FFTW3 and OpenMPI installed on the cluster are both compiled by gfortan. But I have compiled WIEN2k by intel ifort. I am not sure whether the problem originates from this inconsistency between gfortan and ifort.
Almost everything in FFTW3 and OpenMPI is in fact c. Assuming that you used gcc there should be no problem. In general there should be no problem.

I have checked that lapw1 has compiled correctly.
How? Do you mean that there are no error messages?


Sincerely yours,

Leila