Is VASP ready to run on ARM processors?

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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leonardo
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Is VASP ready to run on ARM processors?

#1 Post by leonardo » Wed Nov 30, 2022 12:50 pm

Dear Colleagues,

I have just bought a very powerful Apple Studio with an Apple M1 Ultra ARM architecture.

Before trying to install VASP on it, I was wondering whether VASP is compatible with this kind of chip architecture.
Any advice would highly be appreciated!

Please, forgive me if this topic has been discussed before but I did not find it in the forum.

Many thanks,

Leonardo

pedro_melo
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Re: Is VASP ready to run on ARM processors?

#2 Post by pedro_melo » Mon Dec 05, 2022 10:23 am

Dear Leonardo,

I have installed VASP on my Macbook Pro 2021 (M1 Pro chip) and ran it without any issues. All external libraries were installed with macports, but I am sure that it will also work if these are compiled by hand.

The following libraries were linked during the installation:
1) HDF5
2) FFTW3
3) OPENBlas
4) SCALAPACK
5) Wannier90

For compilers I used gcc10 and mpich, and libraries had openmp support. I include the makefile.include that I used.

Cheers,
Pedro Melo
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