"It seems the current installed cuda version is incompatible with the cuda
which is required for sander.quick.cuda. Kindly suggest how can I fix this?"
This cannot be fixed by adjusting your amber input files. As you appear to understand, you will need to install a more recent cuda version. You will need to contact your local computer administrator to install it for you, or you could try to install and configure it yourself. Here is a link to nvidia's website with instructions on how to install cuda. The nvidia website also contains a forum where you can ask for additional help on how to install cuda.
https://docs.nvidia.com/cuda/cuda-installation-guide-linux/
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Received on Fri Jan 10 2025 - 10:00:02 PST
