[CP2K-user] [CP2K:18388] Cp2K SLURM Install and Test

Sebastian Muraru sebmuraru at gmail.com
Thu Jan 26 12:52:09 UTC 2023


I have now attempted to install cp2k on a slurm HPC with K40ms.
I used:

*./install_cp2k_toolchain.sh --with-openmpi=system --with-openblas 
--enable-cuda --gpu-ver=K40 --with-cmake=system --with-libxc 
--with-pexsi=no --with-ptscotch=no --with-superlu=no --with-quip 
--with-plumed --with-elpa=no --with-sirius=no --with-libxsmm 
--with-fftw=system *

Also, using 

*---------------------------- Modules 
-------------------------------------Currently Loaded Modulefiles: 1) 
libraries/cuda-11.4   2) mpi/openmpi-x86_64   3) pmi/pmix-x86_64  *

Installation works fine, no errors reported for local_cuda psmp.

Then I tried the testing:
*make -j 40 ARCH=local_cuda VERSION=psmp test*
I guess it never properly starts. I have attached the output I get in a 
text file here.

Could anyone highlight a possible cause? Is it in the manner I might have 
used "salloc" / "srun" on SLURM?


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 on the web visit https://groups.google.com/d/msgid/cp2k/0afb597f-359d-4c1d-bece-56286386ae2cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230126/7b489661/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: cp2k_test_errors
Type: application/octet-stream
Size: 16026 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230126/7b489661/attachment.obj>

More information about the CP2K-user mailing list