[gmx-users] simulation acceleration of SWM4-NDP water and ions

折晓会 shexh19 at hotmail.com
Sat Aug 15 15:14:02 CEST 2015

Dear all,
I am using polarizable water model (SWM4-NDP) and ions in my simulation. However, the simulation speed is really slow, and it will take several days to get the simulation results. 
I know the SWM4-NDP only supports 1 MPI thread at the moment. I am wondering if SWM4-NDP supports GPU acceleration, or is there other method to improve the simulation speed? I plan to upgrade my current workstation to speed up the simulation.
Any help will be appreciated!
Best wishes,
Xiaohui SheUniversity of Wisconsin-Madison 		 	   		  

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