HPMC with depletant simulation in CPU

[Xuan Feng]

Hi all,

Recently I used the HPMC simulation with depletant. I found when I use device=gpu, there's the depletant interaction, but whne I use device=cpu and mpirun to run the simulation, there's not depletant interaction. Can the depletant set only be used on GPU?

Thank you so much!

Best regards,

Feng Xuan

[Joshua Anderson]

Feng,

This is a known bug: https://github.com/glotzerlab/hoomd-blue/issues/1448. Interesting that you find the GPU works. In our tests, the CPU works but the GPU does not.

I have no timeline for a fix. None of the current developers are familiar with the implicit depletant code.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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[Xuan Feng]

Hi Anderson，

Thank you for your reply. I found that when I set the depletant fugacity a lower value, there's not an obvious depletion interactions. But if I set a higher value almost above 300, the depletion interactions will appear. I hope this information will be helpful.

Thank you. Regards,

Feng Xuan

Joshua Anderson <joaa...@umich.edu> 于2023年3月17日周五 19:19写道：

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