[gmx-users] GPU offload for reaction-field type dataset

[Jimmy Chen]

Hi,

there's only rf(reaction-field) dataset in

https://repository.prace-ri.eu/ueabs/GROMACS/1.2/GROMACS_TestCaseB.tar.gz


Per user guide (getting  good performance from mdrun),

Native GPU acceleration is supported with the Verlet cut-off scheme
<http://manual.gromacs.org/documentation/current/user-guide/cutoff-schemes.html>
(not
with the group scheme) with PME, reaction-field, and plain cut-off
electrostatics.

How to enable GPU offload for reaction-field type dataset?
I only can run gpu-offload for PP with it now, is there other way to enable
more GPU offload with this kind of dataset?
I'm using Nvidia V100 now.

btw, is interpolation orders other than 4 not supported for gpu-offload as
well?

Thanks,
Jimmy