Could anyone tell me if replica exchange is compatible with the GPU package? I’m having a hard time debugging this thing because of CUDA error and restart2data is complaining that it can’t write my cg/cmm/coul/long, and I need to decompose my restart file to test hypotheses about what’s wrong. If I knew what was going on here I would have a better idea how to get it running because I’m reading up on documentation and fixing all the little things I see.
thanks so much,
Luke Czapla
P.S. - Sorry if this is a duplicate message but LAMMPS has been so great to me that I might’ve sent the first one to the wrong mailing list address because I forgot the address, it’s been so long 
Could anyone tell me if replica exchange is compatible with the GPU package?
yes. it should be. there is no obvious reason why it should not.
however, you didn't state what version of LAMMPS exactly you are
using, so i cannot say for certain.
I'm having a hard time debugging this thing because of CUDA error and
restart2data is complaining that it can't write my cg/cmm/coul/long, and I
restart2data does support cg/cmm/coul/long. you must be using it
incorrectly. besides, cg/cmm/coul/long has long ago been superseded by
lj/sdk/coul/long.
please note that these pair styles also support the write_data command
which is slated to replace restart2data.
need to decompose my restart file to test hypotheses about what's wrong. If
I knew what was going on here I would have a better idea how to get it
running because I'm reading up on documentation and fixing all the little
things I see.
difficult to give any additional advice without any specific details
or the option to reproduce the problem.
axel.