[gmx-users] --enable-threads fails.

[Erik Lindahl]

Hi,

On Apr 10, 2007, at 10:15 PM, vipin sachdeva wrote:
>
> This thread on Feb 8 2006 mentions that threads are not yet  
> functional.
>
>
> http://www.gromacs.org/pipermail/gmx-users/2006-February/019760.html
>
> Is the threads still not functional considering I still get the  
> same error ?

We are only using threads for experimental development of the  
nonbonded interaction loop. The multi-level-cache-locality features  
on modern CPUs (even NUMA on Opterons) means that you normally get  
better performance by partitioning the problem into separate MPI  
processes, where each process resides on a separate core.

Cheers,

Erik