On Wed, Mar 30, 2022, s.ohno.tohoku-mpu.ac.jp wrote:
>
>1. I want to do a simulation using a GPU, so I am referring to the following
>method.
>
>http://ambermd.org/gpus12/
Note the words (in bold) at the top of this page: "THIS IS AN ARCHIVED PAGE
FOR AMBER v12 GPU SUPPORT IT IS NOT ACTIVELY BEING UPDATED" But you are
using it for Amber18.
>Your AMBERHOME environment variable is not set! Auto set it to:
>/home/user/amber18
You should either (a) consult the Amber2018 Reference Manual for detailed
installation instructions (
https://ambermd.org/Manuals.php) or (b) update to
Amber20 and use the current installation procedure.
>Error: nvcc cuda compiler not found in /usr/local/cuda-10.1/bin/
As Anselm pointed out, the system is looking for nvcc in the above
directory, based on what your CUDA_HOME environment variable is. (Again,
this is for Amber18; we transitions to a completely different built system
for Amber20.)
...hope this helps....dac
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Received on Wed Mar 30 2022 - 06:00:03 PDT
