[gmx-users] ? particles communicated to PME node...
Mark.Abraham at anu.edu.au
Wed May 13 15:29:48 CEST 2009
Pavel Semenyuk wrote:
> Dear gmx users,
> I run lipid bilayer simulations in parallel (gromacs v4.0.2), and I have fatal error:
> 4 particles communicated to PME node 2 are more than a cell length out of the domain
> decomposition cell of their charge group
> How can I fix it? Thank you in advance
I suggest you start by upgrading to 4.0.5 in case it's caused by
something that's been fixed since 4.0.2. See
http://www.gromacs.org/content/view/181/132/ for release notes.
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