Re: [AMBER] Error in Installing Amber 20 on GPU

From: Suchetana Gupta <>
Date: Sat, 4 Jul 2020 15:13:47 +0530

Hi David
I have no clue what happened. All we did is reboot our system. Now
everything is working fine. Thanks a lot for your help.
Suchetana Gupta
IACS, Kolkata

On Fri, 3 Jul 2020, 19:07 David A Case, <> wrote:

> On Fri, Jul 03, 2020, Suchetana Gupta wrote:
> >Thanks for the response. As per your suggestion, we edited the run cmake
> >file at DCUDA_TOOLKIT_DIR ta cuda-10.0. The installation was okay. But the
> >make test.cuda.serial gave error. Attaching it in the txt file. Also,
> >attached is the output for nvcc --output.
> >Now in our machine, on typing nvidia-smi, we are getting the error: failed
> >to initialize nvml: driver library version mismatch
> I don't see how just changing an option in run_cmake could have caused
> nvidia-smi to change its behavior. Most of your test errors come from
> things that seem related to this: not finding a CUDA device, or not
> being able to intialize it.
> This is not something that can be debugged remotely: you will need to
> find someone who has access to your machine and can examine the problem
> of the mismatch between drivers and library version.
> ....dac
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Received on Sat Jul 04 2020 - 03:00:03 PDT
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