How to use the stored state data from restart file while perform a restart run?

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Hi there,
How to use the stored state data from restart file while perform a restart run?

Here is my case.
In the original in file, I use ‘fix aveconfig0x all store/state 0 f_avepos0[1]’ to store the reference configuration of my model after relaxation, where ‘avepos0’ is the output of a 'fix ave/atom ’ command during the relaxation.

To use the variable f_aveconfig0x in the restart run, I tried

  1. the command ‘fix aveconfig0x all store/state 0 f_avepos0[1]’ in the new in file and got an error said that f_avepos0 is not defined;
  2. to call the variable ‘f_aveconfig0x’ directly as if it had been defined and got an error said that f_aveconfig0x is not defined.

So, how to use the inital configuration stored in ‘f_aveconfig0x’ ?

2

To restore the state of a fix after a restart, the fix command has to be specified exactly as it was in the original input file.

The error you get is due to the missing fix that fix store/state is using as an input. Even though the data from the fix will not be used (and thus it can contain dummy data or be a different fix that just has the same fix ID and stores per-atom data), it also has to be present in the restarted input file, so the fix command can be repeated without error.

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