OpenMPI/4.1.1 on Yggdrasil - GCC change?

Hi !

Just ran into a slight issue with OpenMPI/4.1.1 on Yggdrasil. Until now I was running ORCA (quantum chemistry code) with the environment:

module load GCC/11.2.0
module load OpenMPI/4.1.1

But this has stopped working very recently, I presume due to a change in GCC requirements as now OpenMPI/4.1.1 requires GCC/10.3.0
So I am now loading these:

module load GCC/10.3.0
module load OpenMPI/4.1.1

Which allows the code to run again, except I now repeatedly get these errors:

Is there anyway I can revert to the previously used GCC version? Any other way to solve this issue is very welcome too. I am quite reluctant to recompile my own OpenMPI version…

Thanks and good day everyone :slight_smile:

Baptiste.

Hi, thanks for the feeback.

I’ll recompile UCX for this version of OpenMPI and keep you posted.

Best

Hi,
Thanks for your reply.
It doesn’t seem to be that critical of an error, as the results of the calculation in itself seem completely unaffected and I can repeat previously error-free results.
So as far as I am concerned it is perhaps more of a cosmetic issue with these error lines appearing in my output, no idea whether it may have a worse impact on someone else.
If there is any testing I can do in the meantime, do let me know!
Best,
Baptiste.

Hi, you should be able to use the the dependencies you were using previously, I’ve recompiled the missing module. Let me know if this isn’t the case.

Hi,
Thanks, I see I can load GCC/11.2.0 for OpenMPI/4.1.1 !
Oddly though that did not solve the UCX error, I still get the same error message repeated once per openmpi thread. Maybe that was not the source of the error than and I noticed the wrong change.
Again, the software is still running fine with results being completely unaffected so far, so it is perhaps not a very critical issue.
Thanks for your help!

Baptiste.

Hi !
Unfortunately, I have the same error message with a strong loss of performances. One message per requested ntasks. I use the module foss/2020b (i.e. GCC/10.2.0 and OpenMPI/4.0.5 in order to use ImageMagick). Does it come from the modules then ?
Thanks in advance !

Jonathan.

Hi,

we did a mistake and overwrite all the UCX module we recompiled on Yggdrasil :cry:

The script is now corrected and we rebuilt all the UCX on Yggdrasil. You shouldn’t have this issue anymore!

Best

Can confirm, error messages have disappeared !! :partying_face:
Thanks!

Best,
Baptiste.

1 Like

I confirm as well ! The performances seem even better !
Thank you very much Yann !

Cheers,
Jonathan