SYCL build for GROMACS

[Ducki]

Dear Intel Support Team,

I would like to have GPU support for GROMACS, my GPU is Intel Iris Xe Graphics, so I was recommended to use SYCL support. However, installing all the Intel oneAPI Base Toolkit is quite heavy (approximately 22GB). So I would like to ask are there some required components in the Toolkit that i really need to install for SYCL-GROMACS complete building without errors? I'm using Ubuntu 22.04 by the way if it helps to clarify.

Sincerely.

[RahulC_Intel]

Hi Ducky, please note that you need to install only DPC++/ C++ Intel® oneAPI component for SYCL programming. You may refer to the link: https://www.intel.com/content/www/us/en/developer/articles/release-notes/intel-oneapi-dpc-c-compiler-release-notes.html and check the updated release notes for Intel® oneAPI DPC++/C++ Compiler.

[RahulC_Intel]

Hi Ducky, we have moved your query to respective team and they will get back to you soon on another community thread link: https://community.intel.com/t5/Intel-oneAPI-Data-Parallel-C/bd-p/oneapi-data-parallel-c. 

If you have any further queries, please post a new question as this thread will no longer be monitored by Intel®.