keep track of the random numbers in fix gcmc

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1

Dear users,

I would like to know if there is a way to keep track of the random numbers used by lammps in the fix gcmc as it does the different conformational changes.

Thanks for your help,

Oliver

2

Dear users,

I would like to know if there is a way to keep track of the random numbers
used by lammps in the fix gcmc as it does the different conformational
changes.

not without modifying the source code.

axel.

3

What subroutine should I modify in order to get them?

Thanks!

4

It is a bit tricky. You would have to modify fix_gcmc.{cpp,h} so that it outputs to a file or something every random number that gets generated.

Alternatively you could hack inside the RanPark class in random_park.{cpp,h} which is the RNG that fix_gcmc uses, but then you do have to take care that anything you put in there will also be executed when other classes use it.

5

Not clear what you mean by “keep track” of RNs.

And why do you want to do that? Knowing the motivation

might help. You should also realize that if you run

in parallel, each processor may be using differnt RNs.

Steve