Stray PME grid charges detected possible bug 2.7b2

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Sun Oct 10 2010 - 10:54:11 CDT

Dear all,

We experienced next (see the end of message) crash after ~ 3.8 ns of
simulation (minimization and heating were done smoothly). NAMD 2.7b2
for Linux-x86_64-ibverbs (under charmmtun), running on 2 nodes (16
proc.). 1D colvar was used. Same simulation using same colvar (but
different boundaries), running on 1 node proceed without problems to the
end. I see similar problem on namd-l, but not some solution.

Branko

__________

Info: PATCH GRID IS 3 (PERIODIC) BY 4 (PERIODIC) BY 4 (PERIODIC)
Info: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY

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