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

[Mauro Sgroi]

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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