On Thu, Jul 10, 2014 at 11:10 AM, Ondrej Kroutil okrou...@gmail.com wrote:
Dear Mark,
Thank for suggestion concerning switching between CPU and GPU. Second
option was the one I was looking for! Thank you.
And this reminds me I have one remark about new 5.0 version: in previous
versions, when
Hi gromacs users and developers,
I have troubles with simulations of the system with surface (slab geometry)
using GPU and Verlet cut-off scheme.
When I run this simulation on CPU everything goes right and ions dissolved
in the water above the surface seems to behave normally. But when I switch
to
On Jul 9, 2014 7:39 PM, Ondrej Kroutil okrou...@gmail.com wrote:
Hi gromacs users and developers,
I have troubles with simulations of the system with surface (slab
geometry)
using GPU and Verlet cut-off scheme.
When I run this simulation on CPU everything goes right and ions dissolved
in the
