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Epyc 3rd gen or Xeon 3rd gen for Quantum Espresso and Vasp

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  • Epyc 3rd gen or Xeon 3rd gen for Quantum Espresso and Vasp

    I am planning to buy a workstation to run material simulation code like VASP and Quantum Espresso. These codes use intel mkl intensively. In openchmark site I noticed that Epyc milan processors are much ahead of Xeon 3rd gen in terms of performance. But recently i found in internet that mkl (after 20. Version) performance in amd cpus are not satisfactory due to intels crippling. An workaround solution was also posted ( export mkl_debug_cpu_type= 5). Considering all these points which one of the following cpus will be best for the aforementioned codes ?
    1. Single Epyc milan 7513
    2. Double Xeon 4316
    ​​​​​​

  • #2
    As much as it pains me to say it, If using Intel MKL, go with the Intel system.

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