Dear Justin, Thanks for your answers and helps.
My mdrun was finished. > If you want specific help about why you're observing some given > speed/performance, you need to provide actual details about the simulated > system, hardware, etc. and upload full .log files to a file-sharing service > (e.g. pastebin) and provide a URL. Details about the simulated system: A protein with 54 residues, 4214 water molecule and 7 Cl ions, totally 13599 atoms. Details about the hardware: CPU: Intel Corei7 6900K Mainboard:Asus X99E ws RAM: 4*8 GB 2400, DDR4 VGA: GTX 1080 EVGA HDD: 1TB SATA3 Seagate SSD: 240GB The log file (npt.log) is obtained from the following link: https://www.dropbox.com/s/85tcj99tdhbjs41/npt.log?dl=0 Please guide me to obtain maximum efficiency from run on gpu. Best, Atila -- 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.
