This application note will explains how to use Intel MKL with GROMACS
The specific optimization and general support for the latest Intel® AVX2 instructions have been added in the Intel MKL v11.0. This article lists the specific functions that are optimized for Intel AVX2.
Some ARPACK users have reported stability issues after upgrading to the Intel® Math Kernel Library (Intel® MKL
Product Version: Intel® Fortran Compiler 15.0 and a later version