[CP2K-user] [CP2K:11408] Re: ERROR: Program received signal SIGABRT: Process abort signal

[Krack Matthias (PSI)]

Hi Chaimaa

Just check the online manual for the input section cell: https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/CELL.html

Matthias

From: cp... at googlegroups.com <cp... at googlegroups.com> On Behalf Of chaimaa Dahri
Sent: Mittwoch, 13. März 2019 08:44
To: cp... at googlegroups.com
Subject: Re: [CP2K:11408] Re: ERROR: Program received signal SIGABRT: Process abort signal

Hi Matthias,

Could you explain more please?
I'm new at CP2K and i couldn't get what you said.
Thank you,

Chaimaa.

Le dim. 10 mars 2019 à 10:36, Matthias Krack <matthia... at psi.ch<mailto:matthia... at psi.ch>> a écrit :
Hi Chaimaa

the CELL section contains the invalid keywords ALPHA, BETA, and GAMMA. You should either specify a proper set of cell vectors A, B, and C or use the keword ABC in combination with the keyword ALPHA_BETA_GAMMA.

HTH

Matthias

On Saturday, 9 March 2019 12:52:03 UTC+1, chaimaa Dahri wrote:
Dear CP2K Users,
I am trying to compile the script that you will find attached below (EnergyForceSiO2) but this message (ERROR.png) keep showing up everytime i run the job.
PLease do you have any idea of the main cause of this problem?
Best regards,
Chaimaa.


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