colvars

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1

Hi LAMMPS users,

I am using colvars module with 6Apr13 version.

once job finished it gives following error. even I tried compiling colvars library with -COLVARS_DEBUG, but couldn’t resolve it.

2

There is not enough information to give any advice. I am currently revising the colvars package to resolve some issues with existing implementation (of the interface not the library). Please wait a few days ...
Axel

3

Hi Axel, this is an internal error message to the colvars package, not related to the LAMMPS interface.

Karthik: most likely you are restarting a simulation after changing the colvars configuration file. That is similar to using a LAMMPS state file after changing the configuration file of the LAMMPS version.

Continue the previous colvars calculation with the same configuration file, or start a new one.

Giacomo