Unable to run CUDA NAMD but able to run non-CUDA version on Windows

From: Chun Heung Wong (w.chunheung_at_gmail.com)
Date: Sat Dec 16 2017 - 06:50:06 CST

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the command line does not give any outdated version errors.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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