[CP2K-user] [CP2K:21691] [CP2K] Process Killed (Signal 9) during SCF initialization — No error in output.

[Hanaa Sari]

Dear CP2K community,

I'm encountering an issue when running a CP2K calculation on my local 
workstation ( 8 cores, using MPI with cp2k.popt). The calculation stops at 
the beginning of the SCF loop, and the output file (Ru331.out) shows no 
specific error — it stops right after initializing SCF.

However, the terminal displays the following messages:
WARNING: No preset parameters were found for the device that Open MPI
detected:

  Local host:            HP-Z8
  Device name:           irdma0
  Device vendor ID:      0x8086
  Device vendor part ID: 14289

Default device parameters will be used, which may result in lower
performance.  You can edit any of the files specified by the
btl_openib_device_param_files MCA parameter to set values for your
device.

NOTE: You can turn off this warning by setting the MCA parameter
      btl_openib_warn_no_device_params_found to 0.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There is at least non-excluded one OpenFabrics device found,
but there are no active ports detected (or Open MPI was unable to use
them).  This is most certainly not what you wanted.  Check your
cables, subnet manager configuration, etc.  The openib BTL will be
ignored for this job.

  Local host: HP-Z8
--------------------------------------------------------------------------
[HP-Z8:178878] 7 more processes have sent help message 
help-mpi-btl-openib.txt / no device params found
[HP-Z8:178878] Set MCA parameter "orte_base_help_aggregate" to 0 to see all 
help / error messages
[HP-Z8:178878] 7 more processes have sent help message 
help-mpi-btl-openib.txt / no active ports found
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun noticed that process rank 1 with PID 0 on node HP-Z8 exited on 
signal 9 (Killed).



It seems that one of the MPI processes is being killed unexpectedly. I 
suspect it might be a memory-related issue, but I’m not entirely sure.

Could anyone help me:

*Confirm if this is likely due to memory overload?

*Suggest how to reduce memory consumption in the input?

*Or how to properly disable OpenMPI’s use of Infiniband on a local 
workstation?

I am attaching the input and output files.


  Best regards,
Hanaa.  

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/5178b849-dd4e-4996-8944-0dad2476e2dcn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250727/bd5baf3c/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Ru331.inp
Type: chemical/x-gamess-input
Size: 3435 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250727/bd5baf3c/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Ru331.out
Type: application/octet-stream
Size: 11776 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250727/bd5baf3c/attachment.obj>