Installing PSEv3 on Hoomd-blue-v3 beta 7

[William Torre]

Hello,

I am trying to install the hoomd plugin PSEv3 (from Andrew Fiore) on hoomd-v3.0.0-beta.7. I previously installed and tested PSEv3 on hoomd-v3.0.0-beta.3 with success, but now I am having difficulties in making it run properly on the newer version of hoomd. After an apparently smooth installation, when I run a simulation using PSE as integration method the position of particles is always the same as the starting one, and no error appears during or after the simulation. Apparently, functions from "Stokes.cc" can be called from PSEv3/integrate.py (such as setParams() or AllocateWorkSpaces(), etc.) but cannot (or at least hoomd seems to skip those lines) be called from "IntegratorTwoStep.cc" (such as integrateStepOne()).

Thank you for reading.
William

[Joshua Anderson]

William,

v3.0.0-beta.9 is the latest version with many bug fixes since beta.7. I recommend upgrading to the latest version.

I do not maintain the PSE plugin, you will need to ask the plugin's user and/or developer community for support.

------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan

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