Dear list, I have noticed the following changelog from Gromacs 4.6.2:
--> Added CUDA PME kernels with analytical Ewald correction Does that mean we can now offload PME computation to GPU? I have not found how... I have noticed two environment variables: GMX_CUDA_NB_ANA_EWALD and GMX_CUDA_NB_TAB_EWALD but even if I export them it does not seem to activate PME on GPU. My technique for verifying is: raise PME accuracy by means of fourierspacing, interpolation etc... and see from the force evaluation time GPU/CPU that the CPU time has increased. Thank you AR -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
