[CP2K-user] [CP2K:19985] Re: Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

[Frederick Stein]

Dear Zac,
without providing your CP2K input file "BN.inp" and the respective output 
file (not the Slurm input/output files), we can only guess. Depending on 
the size of your system, you might be running out of memory in which case 
you need a larger number of compute nodes or less MPI ranks per node while 
increasing the number of OpenMP threads appropriately. It could also be a 
bug which we can only identify if you provide the CP2K input and output 
files.
Best,
Frederick

Zac Smith schrieb am Sonntag, 3. März 2024 um 06:06:08 UTC+1:

> Dear CP2K Community.
> I'm running a job to optimize the calculation of excited states of a 
> periodic system and I encountered this error *Program received signal 
> SIGSEGV: Segmentation fault - invalid memory reference*. Do you have any 
> suggestions for changes to avoid this error? I am attaching the submitted 
> submit file and slurm.out file for your reference. Thanks.
>

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