GROMACS version:2019 doublé precision
GROMACS modification: Yes/No
Hello, I’m somewhat new to gromacs and found and issue i need some help with.
I´ve been running some NPT simulations on ionic liquids with success, recently ran in to the error “The domain decomposition grid has shifted too much in the Y-direction around cell 3 1 0. This should not have happened. Running with fewer ranks might avoid this issue.”
I tried looking into the manuals and online but I don’t think I’m understanding the issue.
Could someone explain what this error is about and what could cause it?