Hello Shradheya,
If you want to enforce dynamic load balancing you can use gmx mdrun -dlb yes instead of
the default "auto".
However, as I read from the output, your system was not balanced because it was not needed and the overhead of
re-distributing atoms might outperform the gain from it.
Best,
Christian
On 11/7/19 12:14 PM, Shradheya R.R. Gupta wrote:
Respected Researchers,
How to balance the MD simulations? Below is the report.
*Dynamic load balancing report: DLB was off during the run due to low
measured imbalance. Average load imbalance: 1.4%. The balanceable part of
the MD step is 70%, load imbalance is computed from this. Part of the total
run time spent waiting due to load imbalance: 1.0%.*
Thank you
Shradheya Gupta
DBT-BIF University of Rajasthan
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