Anton Gorenko

> Also how large is the buffer? 1 uint What happens if `pinnedCountMemory` is a regular memory (new or malloc) instead of this? ``` pinnedCountBuffer = new cl::Buffer(context.getContext(), CL_MEM_ALLOC_HOST_PTR, sizeof(unsigned...

gbsa on HIP, MI210, the gap between findBlocksWithInteractions and computeBornSum is about 30 us (between memcopy and computeBornSum - 10 us)  Unless it's the first iteration where OpenMM loads...

What do you mean by "encoding"?

`gcnArch` is fixed here: https://github.com/amd/openmm-hip/pull/14 I'll try to find time today or tomorrow and make hipFFT optional, then investigate what what is happening with the missing device lib during kernel...

I have pushed a commit with optional hipFFT to this PR: https://github.com/amd/openmm-hip/pull/14

I'm trying to build my recipe that I use for https://anaconda.org/streamhpc/openmm-hip with changes for using hip/rocm conda packages instead of installing them from repo.radeon.com I'm getting this error when I...

Thanks! Indeed, it's a bug because `PACKAGE_PREFIX_DIR` is set only when hip-config.cmake is a symlink. This workaround allows me to build conda package using my recipe and `python3 build-locally.py`: ```...

I have some progress. It looks like hip/rocm conda packages don't include the "official" clang from ROCm. It should be possible to use upstream versions of clang to compile kernels...

I have updated the branch: https://github.com/StreamHPC/openmm-hip/commits/make-hip-standard-platform/ * a proper commit with hipRTC-only compilation; * recent changes in the CUDA platform ported to HIP (so OpenMM-HIP can be build with the...

I have `openmm-hip-feedstock` which is basically a usual conda-forge recipe but I build it locally. Currently it's a bit messy, but it allows to build openmm-hip using these conda packages:...