Add support for SYCL/Data Parallel C++ (DPCPP) #183
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Add dpcpp directory and associated kernel files, Makefile changes, host changes to support dpcpp for Intel XeGPUs.
…s.fld file be valid for processing.
… SYCL for NV platforms
…e place in code: common/defines.h
…r native and non-native calls in device code.
Add native math support
…ers in device code.
This is just for completeness. In fact, as ADAM is not supported by heuristics, and thus, not required to fully support native math. Some sycl::pow calls were not transformed into native flavors, although doing so would have been valid.
Add switches between local and global memory for barriers + missing native
Replacing sycl::accessor<... target:local> with sycl::local_accessor<...>
Adding optimization flags.
…Xcuda-ptxas --maxrregcount=64.
Reducing register pressure via additional compiler option
Replacing pow() with native counterpart
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This set of 6 commits adds support for DPCPP and ability to run on GPUs or CPUs that support SYCL/DPCPP.
There is also a commit to allow protein map files that allow old style map files that have file names like rec.A.map. The receptor name is prepended to this file name.