Problem with finishing of cp2k jobs

[Shadrina Maria]

Dear All,

I have a problem with finishing of cp2k jobs. Jobs have frozen after the
last section relevant to calculation and before the section "MULTIGRID INFO"
at the end of the output file:

-------------------------------------------------------------------------------
 ----                             MULTIGRID INFO
 ----
 -------------------------------------------------------------------------------
 count for grid        1:         186800          cutoff [a.u.]
 150.00
 count for grid        2:          24992          cutoff [a.u.]
37.50
 count for grid        3:           9908          cutoff [a.u.]
 9.38
 count for grid        4:            952          cutoff [a.u.]
 2.34
 total gridlevel count  :         222652
-------------------------------------------------------------------------------
 -                         MESSAGE PASSING PERFORMANCE
  -
 -------------------------------------------------------------------------------

 ROUTINE             CALLS  TOT TIME [s]  AVE VOLUME [Bytes]  PERFORMANCE
[MB/s]
 MP_Group                6         0.000
 MP_Bcast             3696         0.133             371057.
 10342.59
 MP_Allreduce         6465        11.179              38542.
22.29
.......
......
......


I found that the last subroutine called in these jobs is
pw_pool_give_back_pw. The input file is also attached.

It seems that freezing of jobs depends on number of cores somehow. Jobs on
1x8 have completed correctly and jobs on 1x4 and 2x8 have frozen.

Have you any suggestions what the problem could be?

For any case:

CP2K version 2.2.262
the lib is MKL-Scalapack
the system is cluster of XEON nodes (8cores/node) with Infiniband switch
the compiler is Intel's


Thank you in advance.

Best regards, Maria.
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