[gmx-users] Gromacs 2018 support Radeon GPU?

김나연 skdsu1 at gmail.com
Mon Aug 13 19:18:16 CEST 2018

Hi! I want to using GROMACS on my PC(Mac OS). 
There is an error in the installation of “make" process. 
My computer has 3.2GHz Intel Xeon W processor and Radeon Pro Vega 56 8176MB GPU. (iMac pro default)

1) My computer is appropriate for GROMACS?
2) Can I use GPU for mdrun?

If it’s possible, I want to get information of installation.
Please help me. I really want to study protein-ligand complex.  
{I already install gcc compiler and fftw and cmake}
*gcc : Configured with: --prefix=/Library/Developer/CommandLineTools/usr --with-gxx-include-dir=/usr/include/c++/4.2.1
*fftw : fftw-3.3.8 fftw_wisdom #x4be12fff #x7b2df9b2 #xa5975329 #x385b0041)
*cmake : cmake version 3.12.1

Thank you!

More information about the gromacs.org_gmx-users mailing list