From: Chun Heung Wong (w.chunheung_at_gmail.com)
Date: Sat Dec 16 2017 - 07:22:29 CST
I managed to solve it in the end by including the "+devices 0" statement as
stated in this thread:
Sorry for the inconvenience!
Chun Heung Wong
On 16 December 2017 at 13:50, Chun Heung Wong <w.chunheung_at_gmail.com> wrote:
> Dear Raymond & Moen,
> Being new to NAMD, I was trying to follow the tutorial and got stuck on
> 1.4.2 of the NAMD Tutorial, Windows Version. I downloaded the CUDA version
> of NAMD as I have a CUDA supported NVIDIA GTX765M.
> I then tried to run the non-CUDA version, and that gives the expected
> output. I therefore think it should have to do with CUDA.
> I have updated my NVIDIA drivers and CUDA toolkit, and inputting >>namd2
> on the command line does not give any outdated version errors.
> All forums I find suggest I should move to Linux, which may eventually be
> where I would like to go. For now I would just like to run MD simulations,
> without having to learn 2 systems at a time (Linux and NAMD).
> Did I forget any installation steps, for CUDA-NAMD specifically?
> Yours sincerely,
> Chun Heung Wong
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