[gmx-users] REMD stall out

Daniel Burns dburns at iastate.edu
Tue Feb 11 19:56:15 CET 2020


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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