[gmx-users] # of threads different than # of cores -> gmx hangs.

[XAvier Periole]

Dears,

When running on multiple nodes I get GMX-461 hanging if the number of threads is not a multiple of the number of cores.

example: with 11 nodes having 24 cores each, defining 253 threads (23 threads per node) or 264 threads (24 threads per node) would work but defining 256 threads would result in mdrun to hang for long time.

That might be expected and not really an issue but that be nice if anyone knows why. 

Thanks,
XAvier.