I’m wondering if I should install in a docker container or virtual machine, with the same instruction set. Hopefully, the compiled artifact is portable within the same instruction set. It’s a very hacky approach. But being able to install stuff is very important to me and this is a total deal breaker if I can’t
I managed to make oneapi work in FHS environment, see here.
I use it to compile VASP, and successfully run some small VASP jobs for test, see here.
But big jobs seems to be always crash when using VASP compiled by oneapi, still do not know why. VASP compiled with GNU compilers always run well, but could only reach less than half of the performance comparing with intel version, in the small test job.