SimTK: OpenMM: [#1793] RPMD limits the number of copies to the workgroup size

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Date:
2013-01-29 18:37

Priority:
3

State:
Open

Submitted by:
Peter Eastman (peastman)

Assigned to:
Nobody (None)

Summary:
RPMD limits the number of copies to the workgroup size

Detailed description
The CUDA and OpenCL implementations of RPMDIntegrator require the number of copies to be less than or equal to the workgroup size. This sets a hard limit on the maximum number of copies, based on the maximum workgroup size supported by your GPU. There are some applications where you really need more copies. That should be supported. See https://simtk.org/forums/viewtopic.php?f=161&t=3908.
The CUDA and OpenCL implementations of RPMDIntegrator require the number of copies to be less than or equal to the workgroup size. This sets a hard limit on the maximum number of copies, based on the maximum workgroup size supported by your GPU. There are some applications where you really need more copies. That should be supported. See https://simtk.org/forums/viewtopic.php?f=161&t=3908.

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