[gmx-users] Does GROMACS have a multi-thread implementation?

Yang Ye leafyoung at yahoo.com
Tue Jun 24 10:16:26 CEST 2008


For latest stable 3.3.3, there is no multi-thread implementation.
For CVS version for coming 4.0, might be, I am not sure, but that's only 
for testing.

Your question tricky without indicating the version.

Regards,
Yang Ye

Lee Soin wrote:
> But I see that in mdrun there's an option nt--number of threads to 
> start on each node. Does this mean multi-thread?
>
> 2008/6/24 Carsten Kutzner <ckutzne at gwdg.de <mailto:ckutzne at gwdg.de>>:
>
>     Lee Soin wrote:
>
>         Does GROMACS have a multi-thread implementation, instead of
>         using MPI?
>
>     No, at least not yet.
>
>     Carsten
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