[gmx-users] Question regarding running Gromacs new graphics card on Centos

Tony Myung Keun Cho mktonycho at gmail.com
Wed Jun 20 04:06:53 CEST 2018

Hi everyone,
I have been using Gromacs 2016.3 with GPU-acceleration with CUDA on Centos
7 for a year.
I am a beginner as a programmer.

I was using Nvidia GTX1050, but now I replaced it with Nvidia GTX1070Ti.
For sole purpose of running Gromacs with FFTW and CUDA, will it cause a
calculation error if I just purge previous CUDA and nvidia software, update
them, and recompile Gromacs?

Will it be better to just format and reinstall the OS?

Thank you very much for reading and your help in advance!

Best regards,

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