[Wien] MPI error

[Laurence Marks]

Inlined response and questions

On Sun, May 2, 2021 at 2:19 PM leila mollabashi <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
>
>
>
>>
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