pme_loadbal_do called at an interval != nstlist
I am using 5.1 on a cluster with two Intel E5-2680v3 CPUs each with 12 CPU cores. The issue is also seen on the same nodes with 2 GPU cards. Attached are the log and tpr files for the GPU simulations.
Please let me know what additional info is needed,
Thank you !
Avoid assertion failure in pme_loadbal_do
When ir->init_step % ir->nstlist != 0 an assertion would fail in
pme_loadbal_do. If it does not fail every time, the assertion can safely
be replaced by a conditional return, which is now done in this case.