[CP2K-user] [CP2K:14775] CP2K 8.1: Runtime error running on more than one node

Alin Marin Elena alinm... at gmail.com
Mon Feb 15 17:43:17 UTC 2021

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....

Without Questions there are no Answers!
Dr. Alin Marin ELENA

On Mon, 15 Feb 2021 at 17:25, Mauro Sgroi
<maurofran... at gmail.com> wrote:
> Dear Developers,
> I'm writing to ask you help for setting CP2K on a HPC server.
> Our IT compiled the code using gcc-8.3.0, openmpi 4.1.0 and the toolchain:
> cmake-3.18.5 cosma-2.2.0 elpa-2020.05.001 fftw-3.3.8 gsl-2.6 hdf5-1.12.0 libint-v2.6.0-cp2k-lmax-5 libvdwxc-0.4.0 libvori-201229 libxc-4.3.4 libxsmm-1.16.1 openblas-0.3.10 scalapack-2.1.0 sirius-7.0.0 SpFFT-0.9.13 spglib-1.16.0
> The obtained code works fine on a single node of our server. When we launch it with the command:
> mpiexec --prefix ${MPI_INST_DIR} -x PATH -x LD_LIBRARY_PATH -n $CORES -machinefile machine_file ${INST_DIR}/cp2k-8.1/exe/local/cp2k.${SOLVER} -inp ${INPUT} 2>&1
> on more than one node we get the error:
> [btl_openib_component.c:1699:init_one_device] error obtaining device attributes for mlx5_0 errno says Protocol not supported
> Could you please give us some advice?
> Thanks a lot in advance and best regards,
> Mauro Sgroi.
> Centro Ricerche FIAT.
> Italy.
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