Hello everyone, We are trying to buy a new machine for running both VASP and Wien2K calculations and we couldn't decide on the type of configuration in terms of CPU (AMD or intel) that is better and which one fits both of these codes we should choose to buy.
Thank you for the answer. However, I would like to know whether your suggestion is based on an experience with both CPUs (AMD and Intel ).
I won't suggest AMD CPU/processor based on my experience and suffering :).
Even the additional Wien2k Packages necessarily require INTEL as Gibbs Code, the boltztrap code etc., are not getting installed easily on AMD or run in error due to the universally spread ifort compiler over gfortran. Again you have to install INTEL libraries over the AMD, and it is a hectic job.
I can write a thesis about it based on my experience. Therefore I suggest INTEL based processors for DFT calculations.
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