I am trying to simulate an adhesion test using LAMMPS on an ice-Aluminium structure and my script runs fine until I introduce a specified region on which I apply a force in the y-direction using AVEFORCE command.
As soon as this REGION is specified, the process stops and I get the error "OUT OF RANGE ATOMS-CANNOT COMPUTE PPPM (...pppm/tip4p.cpp: 107)".
Bad dynamics maybe the issue here but am not sure where it is originating from. Anyone have a similar issue like this, please let me know. The simulation runs fine without errors if the REGION command is not specified.
Any insight is appreciated. LAMMPS script and data file attached.
Dear Abhay,
Did you check here?
https://lammps.sandia.gov/threads/msg70370.html
best
A
Alberto Fraile :
Dear Albert,
Thank you for replying.
Yes, I have checked that thread and other similar threads on the LAMMPS mailing list but I cannot find the solution.
Kind Regards,
Abhay
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