GROMACS development

06/14/2018

08:44 AM GROMACS Revision abb0e3c6: Ensure PME with OpenCL does not attempt to pin

Host-only memory pinning was designed with CUDA in mind, while OpenCL
requires managing both host and device memory b...

06/07/2018

01:17 PM GROMACS Revision 1abb5f54: Compile most of PME GPU host code with OpenCL

Change-Id: Ifca008ac44e345cc6ab87a3b7bd6d5694385a082

05/31/2018

08:53 PM GROMACS Revision bfda3898: Merge pme.cu into pme-gpu-internal.cpp

All the code is moved as is, only the includes change.
Change-Id: I96590c411718b3bff912b08ac9ee09bd681a6b64

06:14 PM GROMACS Revision 29cb20e8: PME OpenCL 3D FFT transform is implemented, using clFFT

This is not yet used but already compiled.
Refs #2536
Change-Id: I49d47ce1ca2bfe75759e757259371289a18a584c

05:14 PM GROMACS Task #2537 (New): Simplify PME solve reduction

Solve reduction (7 energy/virial components) in PME CUDA/OpenCL is written in a rather contrived way, and can be rewr...

05:00 PM GROMACS Task #2449 (Closed): investigate: unit tests with OpenCL consume a lot of memory

05:00 PM GROMACS Task #2449: investigate: unit tests with OpenCL consume a lot of memory

They don't anymore, I suppose

04:54 PM GROMACS Bug #2536 (Closed): clFFT execution not timed in PME

GpuParallel3dFft::perform3dFft() should be getting the timing event from pme_gpu_start_timing() and passing it to clf...

04:41 PM GROMACS Revision d1afbdca: Move pme-timings.cu to pme-gpu-timings.cpp

This prepares PME GPU timer code to be compiled with OpenCL.
Change-Id: I90228a57f534844d2a41547937662fc37bfec8d5

04:00 PM GROMACS Task #2500 (Resolved): detect and allow linking external clFFT

Applied in changeset commit:0f193a44be781828d18b76aae834d4eb55a6640e.