Dear lammps developers,
I use restart or write_restart command to get restart file, but when I run another input script beginning with “read_restart”, the error message is “Restart file byte ordering is not recognized.” Does it mean I need to convert a restart file to a data file? I know from the manual that the restart2data tool is not included in the current LAMMPS distribution. If I use binary2txt tool to get restart.txt, it is invalid LAMMPS restart file. I can use write_data and read_data to restart a simulation, but in that case how can I set group since the locations of atoms after relaxing are unknown?
Thank you in advance!
Best regards,
Michelle
Dear lammps developers,
I use restart or write_restart command to get restart file, but when I run
another input script beginning with "read_restart", the error message is
"Restart file byte ordering is not recognized." Does it mean I need to
convert a restart file to a data file? I know from the manual that the
it means that either your restart file is damaged, or you are trying
to continue the simulation on a different hardware, which is not
supported as binary files are only readable by the same kind of
hardware.
restart2data tool is not included in the current LAMMPS distribution. If I
use binary2txt tool to get restart.txt, it is invalid LAMMPS restart file. I
can use write_data and read_data to restart a simulation, but in that case
how can I set group since the locations of atoms after relaxing are unknown?
you can store the atom ids of the atoms belonging to a group with the
group2ndx command (which was added for use with fix colvars). but
there currently is no tool to do the inverse process. it should be
easy to write a little (python) script to convert that list into a
LAMMPS command...
axel.
Thank you for your timely and sincere help.
dear user
you should use some visualization soft-word at which this problem can be involved as ovito or VMD, for example if you’re using the ovito for visualizing your simulation, you should follow these steps; commence with visualization as first step, and register this structure from file===> Export, in which this technique allows you to find new file compatible your simulation, or if you can send me your file I can help you.
Jabraoui Hicham
Thank you so much, Jabraoui, I will try the method you mentioned.