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lijikun/g16-linux-ryzen.md

Created July 4, 2021 13:12
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Make Gaussian 16 Linux Work with Ryzen CPUs
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g16-linux-ryzen.md

Just install g16 as you normally would with any Intel CPU, and add PGI_FASTMATH_CPU=haswell at the end of $g16root/g16/bsd/g16.profile. source it as you normally would.

Tested to work with G16 Rev. A03 AVX2 version on AMD Ryzen 7 4800U, with Ubuntu 20.04 LTS.

@hrishiksh
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I have followed this video tutorial on youtube

@SingletC
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Update: I noticed some non-consistency in the result between Intel and AMD. Use with caution!

@ruixif
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ruixif commented Dec 18, 2022

@hrishiksh Do you mind sharing your cpu arch information? The flag PGI_FASTMATH_CPU=haswell is arch-dependent.

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