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

kamalpreet... at gmail.com kamalpreet... at gmail.com
Tue Apr 23 18:17:50 UTC 2019

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 
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