Dear Amber users,
1. I want to do a simulation using a GPU, so I am referring to the following
method.
http://ambermd.org/gpus12/
I did this with reference to the Building and Testing the Default SPFP
Precision Model section.
". /configure -cuda gnu" command, I got the following error code. Please let
me know how to deal with this.
Your AMBERHOME environment variable is not set! Auto set it to:
/home/user/amber18
Checking for updates...
Checking for available patches online. This may take a few seconds...
Available AmberTools 19 patches:
No patches available
Available Amber 18 patches:
No patches available
AMBER_PREFIX=/home/user/amber18
AMBER_SOURCE=/home/user/amber18
./configure2: 1: python: not found
Using the AmberTools miniconda installation in /home/user/amber18/miniconda
version 2.7.16
Error: nvcc cuda compiler not found in /usr/local/cuda-10.1/bin/
Configure failed due to the errors above!
2. Also, I would like to incorporate the GLYCAM force field. Is there a
specified directory to extract the GLYCAM.tgz file after obtaining it?
3. What page is the manual for incorporating the GLYCAM force field?
Thank you in advance.
Shiho ohno
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Received on Tue Mar 29 2022 - 23:30:02 PDT
