[gmx-users] ? particles communicated to PME node...
psemenyuk at belozersky.msu.ru
Thu May 14 01:28:20 CEST 2009
Thanks for quick answer.
But I'd faced another problem. When I compile gromacs 4.0.5, it crash with error "Cannot
find fftw3f library", instead of my FFTW is in single precision, and I'd exported to
CPPFLAGS and LDFLAGS real paths for libs. What is reason?
Thanks for help..
Pavel I. Semenyuk
Mark Abraham wrote:
>Pavel Semenyuk wrote:
> Dear gmx users,
> I run lipid bilayer simulations in parallel (gromacs v4.0.2), and I have fatal
> 4 particles communicated to PME node 2 are more than a cell length out of the
> 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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