[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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