[CP2K-user] [CP2K:16800] warning in run
kagg zukgg
zhukuang998 at gmail.com
Sat Apr 2 02:12:44 UTC 2022
Hello cp2k users:
I have compiled cp2k-9.1 successful on my cluster(LSF system) with
opempi/4.1.1/gcc/9.3.0, and all of the tests are passed.
However, when i'm trying to run it on node with 24 cores , it shows such
error:
"By default, for Open MPI 4.0 and later, infiniband ports on a device
are not used by default. The intent is to use UCX for these devices.
You can override this policy by setting the btl_openib_allow_ib MCA
parameter
to true.
Local host: node289
Local adapter: mlx4_0
Local port: 1
--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There was an error initializing an OpenFabrics device.
Local host: node289
Local device: mlx4_0
--------------------------------------------------------------------------
[node289:07532] 23 more processes have sent help message
help-mpi-btl-openib.txt / ib port not selected
[node289:07532] Set MCA parameter "orte_base_help_aggregate" to 0 to see
all help / error messages
[node289:07532] 23 more processes have sent help message
help-mpi-btl-openib.txt / error in device init"
my job scripts is:
#!/bin/bash
module purge
module load openmpi/4.1.1/gcc/9.3.0
#module load mkl/2019.update1
bsub -J cp2kjob -q pengrr -n 24 -o %J.out -e %J.err mpirun
~/bin/cp2k/9.1-2/cp2k-9.1/exe/local/cp2k.psmp -i cp2k.inp
will this error impact my calculation?
what should i do to fix it?
thanks.
have a nice day
--
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/15d8902f-75d6-47ac-a4bb-71e948174584n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220401/4f0192e2/attachment-0001.htm>
More information about the CP2K-user
mailing list