[CP2K-user] [CP2K:19988] Re: Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

[Frederick Stein]

Dear Zac,
Thank you for the files. Unfortunately, I am not familiar with TDDFPT in 
CP2K and the execution stops right there. So, someone else will have to 
jump in.
Best,
Frederick

Zac Smith schrieb am Montag, 4. März 2024 um 04:02:39 UTC+1:

>
> Dear Frederick,
> I've attached the input, output files for your reference. BN__PBE.wfn is a 
> first guess to facilitate accelerated PBE0 calculations. 
>
>
> Have a good day
> Zac
> On Sunday, March 3, 2024 at 12:48:35 PM UTC-5 Frederick Stein wrote:
>
>> 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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