From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Wed Mar 03 2021 - 15:33:43 CST
This exists, but is super alpha at the moment (apparently it doesn’t entirely conserve energy. My bad!). See http://www.ks.uiuc.edu/Research/namd/alpha/2.15_amdhip/, especially the source tarball, which has building instructions.
The requirements are basically that you need an AMD GPU that is compatible with HIP, which is some but not all Radeon cards, and basically none of the common consumer cards a typical computational scientist is likely to have laying around. https://urldefense.com/v3/__https://github.com/RadeonOpenCompute/ROCm*Hardware-and-Software-Support__;Iw!!DZ3fjg!vF2k_mcreXXti7f1gNtf6Z7wuXLAhCjyJPFrv_xfhg1tHFAwHjMbUDAQ9IylFSCvKg$
From: <owner-namd-l_at_ks.uiuc.edu> on behalf of "Ropon-Palacios G." <biodano.geo_at_gmail.com>
Reply-To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>, "Ropon-Palacios G." <biodano.geo_at_gmail.com>
Date: Wednesday, March 3, 2021 at 4:22 PM
To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
Subject: namd-l: Compile NAMD with AMD GPU
Dear namd users,
How can I compile NAMD with Radeon o similar AMD GPU?
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:10 CST