Dear all
I have modeled the following example of polymer in the Lammps wiki,
https://icme.hpc.msstate.edu/mediawiki/index.php/MD_PE_deformation
but at the final stage of simulation I got the following error:
Dear all
I have modeled the following example of polymer in the Lammps wiki,
https://icme.hpc.msstate.edu/mediawiki/index.php/MD_PE_deformationbut at the final stage of simulation I got the following error:
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Memory usage per processor = 10.373 Mbytes
Step Temp Pxx Pyy Pzz Lx Ly Lz E_pair E_bond E_angle E_dihed
0 499.04432 1682.1019 1215.2783 1375.6771 80.0586 80.0586 80.0586 -8938.9118 5001.184 5149.2342 9405.6774
ERROR: Energy was not tallied on needed timestep
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whats wrong with that? I've got the Lammps 11Sep 2011.
does it happen with the current version of LAMMPS?
axel.
Yes, I also try the latest version and I have got the same error
The Wiki is not part of LAMMPS itself, so unless you post
the script with some guidance as to what command is causing
the error, no one can help you.
Steve