[gmx-users] problems with GROMACS 4.6.2

[Mark Abraham]

Hi GROMACS users,

It's come to our attention that some changes we made in 4.6.2 to the way we
detect low-level hardware attributes sometimes affects mdrun performance.
Specifically:
* using real MPI will likely lead to lower performance than 4.6.1, if
GROMACS managing the setting of thread affinities would have been a good
thing
* on Mac OS, mdrun might hang completely
If the simulation runs, then it's correct :-)

We've identified fixes and will release 4.6.3 in the next few days. In the
meantime, we suggest not bothering to install 4.6.2.

Apologies,

Mark