GROMACS version: 2023
GROMACS modification: No
I am making several GROMACS builds targeting different compute node hardware architectures. In each case the build is done on a node with the exact architecture on which that build will run. In other words, all aspects of the architecture should be known at compile time.
Under these circumstances, is there any benefit to building GROMACS with hwloc support? The version of hwloc provided by the module system is quite outdated (2.5), and I’m not sure if using a version this outdated would do more harm than good in any case? I can build my own version of the most recent hwloc release, but I’m wondering if there is any benefit to doing so?