[CP2K-user] [CP2K:11588] NEB Calculation Keep Crashing

[kamalpreet... at gmail.com]

Thank you for your response Alejandro. I have tried lowering the NPROC_REP 
and also tried increasing the number of nodes and cores I ask for. It 
doesn't seem to help. In fact, it seems to crash even faster. 

On Tuesday, 23 April 2019 11:24:43 UTC-4, Alejandro Ramos wrote:
>
> Hi,
>
> the number of processors per replica (NPROC_REP 256) seems to high. In 
> general, NPROC_REP x NUMBER_OF_REPLICA  should be equal to the number of 
> nodes requested times the number of cores in each node.
>
> Regards,
>
> Alejandro.
>
> El mar., 23 de abr. de 2019 a la(s) 16:45, <kamal... at gmail.com 
> <javascript:>> escribió:
>
>> Hi Everyone,
>>
>> I am trying to do NEB calculations for my system, but it only runs a 
>> maximum of 4 steps before it crashes. I am not sure what the error is, it's 
>> not explaining too much. Any help in resolving this would be highly 
>> appreciated. 
>>
>> Thanks,
>> Kamal 
>>
>> -- 
>> 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 c... at googlegroups.com <javascript:>.
>> To post to this group, send email to c... at googlegroups.com <javascript:>
>> .
>> Visit this group at https://groups.google.com/group/cp2k.
>> For more options, visit https://groups.google.com/d/optout.
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190423/a5319c4c/attachment.htm>