Jeff Hammond

In 25 years, nobody has complained about this before but I’ll push a fix and maybe some extra goodness like support for --help and --version.

https://github.com/jeffhammond/nwchem/tree/nwchem-print-version-help is WIP to resolve this issue.

@vrpascuzzi Ubuntu supports OpenCL and SPIR-V for the Apple M1 iGPU?

I updated the title to say MacOS to indicate that this request is not about Linux on Apple hardware.

I use this check when relevant. ```c++ bool has_fp64(const sycl::queue & q) { auto device = q.get_device(); return device.has_extension(sycl::string_class("cl_khr_fp64")); } ``` I think it's fine to not support FP64 and...

Given that this is a relatively small library, I wonder if it makes sense to include via submodule rather than an external dependency.

Am I doing something wrong in the PRK or should I not be testing this yet? ``` jrhammon-mac02:Cxx11 jrhammon$ make sycl g++-9 -std=gnu++17 -pthread -O3 -Wall -std=c++17 -fopenmp -DPRKVERSION="2.16" -I./triSYCL/include...

I tried to install everything using your scripts (cuda, llvm, hipsycl) but perhaps I did it wrong.

`--hipsycl-platform=rocm --hipsycl-gpu-arch=gfx906` also fails: ```sh jrhammon@klondike:~/prk-repo/Cxx11$ /opt/hipSYCL/bin/syclcc-clang -DPRKVERSION="2.16" -std=c++17 -O3 -DHIPSYCL --hipsycl-platform=rocm --hipsycl-gpu-arch=gfx906 -Wl,-rpath=/opt/hipSYCL/llvm/lib -DUSE_2D_INDEXING=0 nstream-sycl.cc -o nstream-sycl Stack dump: 0. Program arguments: /opt/hipSYCL/llvm/bin/clang-10 -cc1 -triple amdgcn-amd-amdhsa -aux-triple x86_64-unknown-linux-gnu -emit-llvm-bc...

I have Clang 5 through 9 installed on this machine but with default options. I already built everything from source once and will do so again. There is an annoying...