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markovmodel / adaptivemd

A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
GNU Lesser General Public License v2.1
18 stars 7 forks source link

[WIP] better caching and faster DB access #9

Closed jhprinz closed 7 years ago

jhprinz commented 7 years ago

reduced the number of unnecessary DB accesses a lot.

jhprinz commented 7 years ago

Lot's of improvements. The SIGTERM shutdown works, but apparently scandal calls sigKILL, so we have no chance. Default behaviour in SLURM 17 is first SIGTERM and then little later SIGKILL, which would be perfect.

jhprinz commented 7 years ago

Seems stable. Will merge this now.