I am trying to run a simulation from lammps restart file that I had saved. However, for just one particular file
the restart always reads in the wrong dimensions of the simulation box.
To elaborate, here is the sequence of events that I encountered.
- I have two input files to read from 2 different restart files named ssw_156.100000000.rstrt and ssw_162.100000000.rsrt
No difference between these two files except for the files it reads and writes to as shown in the vimdiff of a section of the codes
- I printout the dimensions of the box in thermo and I can see that file 156 and 162 should have dimensions as shown in the screenshot below:
The systems are all NVT - so they should not have any change in dimensions in any of the restart files
- However, when I read in the two restart files, 162 reads in the right values as shown in the previous section, but 156 reads some higher values of around
35.xx as opposed to 33.xx as shown in the screenshots of output below:
Restart of 156 has dimensions : 35.919 *34.286 *100.000 (x and y are slightly higher than previous file)
Restart of 162 has dimensions : 35.841 *34.454 *100.000 (Exactly same as that of the previous file)
This happens even when i use multiple processors - #162 always reads the correct dimensions and 156 does not.
Also, I was trying to read the restart file - but don’t find a suitable version of restart2data.cpp anymore - is there an
updated version of restart? I haven’t used read restart in a long time and so I am not sure if this error has been
encountered before by others.
Please advice - thank you,