<div dir="ltr">Hi GROMACS users,<div><br></div><div style>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:</div>
<div style>* 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</div><div style>* on Mac OS, mdrun might hang completely</div>
<div style>If the simulation runs, then it's correct :-)</div><div style><br></div><div style>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.</div>
<div style><br></div><div style>Apologies,</div><div style><br></div><div style>Mark</div></div>