On Sat, Aug 26, 2017, Silvana Valdebenito Silva wrote:
>
>
> My name is Silvana Valdebenito and I am postdoctoral researcher at
> the Public Health Research Institute (PHRI), which is affiliated with
> Rutgers University. I recently working in membrane proteins and I trying
> to apply the tutorial "An AMber LIpid FOrce FIeld TUtorial: Lipid14
> Edition". Everything was working OK, until I start the heating step. THe
> calculus is stopped by the error "Error: an illegal memory access was
> encountered launching kernel kClearForces...".
Try a short run with the CPU version: error messages are sometimes
clearer with than option.
Also, set ntpr to a smaller value (so you get more useful output, and
just set temp0=50.0 (omitting the nmropt=1 stuff). These are just
debugging steps to try to focus in on the problem.
....dac
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Received on Sun Aug 27 2017 - 14:00:04 PDT
