Hi Mauro,
there are some things you can try:
* build a CP2K without COSMA, ELPA, SIRIUS, SpFFT and see whether you
can reproduce it with that (simply create an arch-file as a copy of the
toolchain-generated ones with the respective -D..., -l..., -I... flags
removed)
* check the toolchain build logs of ELPA and COSMA (cmake.log/make.log)
to verify that the correct MPI implementation was picked up during
compilation, see also [1]
My guess since other (less complex) software works is that either there
is/was a mismatch of OpenMPI implementations and/or that one of the
dependencies tries to do some advanced MPI ops (RMA, I/O) which is not
configured on your cluster (CP2K has RMA off by default).
Best,
Tiziano
[1]
https://github.com/cp2k/cp2k/issues/1351
On 2/15/21 10:07 PM, Mauro Sgroi wrote:
> Dear Alin,
> thanks a lot for the reply.
> With those mpi we are running smoothly Quantum Espresso and other codes.
> So it seems strange to find this error.
> Best regards,
> Mauro Sgroi.
> Il giorno lunedì 15 febbraio 2021 alle 18:43:31 UTC+1
alinm...@gmail.com
> ha scritto:
>
> Hi Mauro,
>
> seen this before with other codes... the issue invariable ended up due
> to openmpi not playing nicely with the queuing system.
>
> if you want to see if a simple MPI hello world using the above mpi
> actually works....
>
> Regards,
> Alin
> Without Questions there are no Answers!
> ______________________________________________________________________
> Dr. Alin Marin ELENA
>
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Tiziano Müller
University of Zurich
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