The non-bonded GPU emulation mode does not work, at least for builds
with GPU support; then a GPU setup call is called.
Also dynamic pruning needs to be implemented for GPU emulation.
+
+OpenCL on NVIDIA Volta and later broken
+---------------------------------------
+
+The OpenCL code produces incorrect results on Volta and Turing GPU architectures
+from NVIDIA (CC 7.0 and 7.5). This is an issue that affects certain flavors of
+the nonboded kernels, most likely a result of miscompilation, and there is no
+known workaround.
Add support for Intel Compiler based on LLVM technology.
To compile GROMACS with this compiler use ``CXX=icpc CXXFLAGS=-qnextgen cmake``.
+Document known issues with OpenCL on Volta and Turing
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+:issue:`3125`
+
Miscellaneous
^^^^^^^^^^^^^
-
- On NVIDIA GPUs the OpenCL kernels achieve much lower performance
than the equivalent CUDA kernels due to limitations of the NVIDIA OpenCL
compiler.
+- On the NVIDIA Volta an Turing architectures the OpenCL code is known to produce
+ incorrect results with driver version up to 440.x (most likely due to compiler issues).
+ Runs typically fail on these architectures.
Limitations of interest to |Gromacs| developers: