ERROR: Program received signal SIGABRT: Process abort signal

chaimaa Dahri

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Mar 9, 2019, 6:52:03 AM3/9/19

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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.

EnergyForceSiO2

ERROR.png

Matthias Krack

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Mar 10, 2019, 5:36:14 AM3/10/19

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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

chaimaa Dahri

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Mar 13, 2019, 3:41:05 AM3/13/19

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Hi Matthias,

Could you explain more please?

I'm new at CP2K and i couldn't get what you said.

Thank you,

Chaimaa.

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Krack Matthias (PSI)

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Mar 13, 2019, 4:10:41 AM3/13/19

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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

chaimaa Dahri

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Mar 13, 2019, 4:31:56 AM3/13/19

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Hi Matthias,

Ok. Thank you.

Best reegards,

Chaimaa.

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