[gmx-users] REMD stall out

[Szilárd Páll]

Hi,

If I understand correctly your jobs stall, what is in the log output? What
about the console? Does this happen without PLUMED?

--
Szilárd


On Tue, Feb 11, 2020 at 7:56 PM Daniel Burns <dburns at iastate.edu> wrote:

> Hi,
>
> I continue to have trouble getting an REMD job to run.  It never makes it
> to the point that it generates trajectory files but it never gives any
> error either.
>
> I have switched from a large TREMD with 72 replicas to the Plumed
> Hamiltonian method with only 6 replicas.  Everything is now on one node and
> each replica has 6 cores.  I've turned off the dynamic load balancing on
> this attempt per the recommendation from the Plumed site.
>
> Any ideas on how to troubleshoot?
>
> Thank you,
>
> Dan
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