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

From: David A Case <>
Date: Mon, 29 Jun 2020 14:04:42 -0400

On Mon, Jun 29, 2020, Suchetana Gupta wrote:

>We tried installing Amber 20 on our GPU machine. While the serial
>installation was smooth, we could not install it on GPU.

Did you modify the run_cmake script to set -DCUDA=TRUE? Your build
report from cmake indicates that CUDA is OFF, so it never even tried to
build pmemd.cuda.

All the tests then fail with simple messages like this:

/home/sks/Desktop/SUCHETANA/amber20/bin/pmemd.cuda_DPFP: Command not found.

This is consistent with the hypothesis that you never asked to build
pmemd.cuda. But there may be something else happening that I'm not
seeing -- better to post your log file as a text file, rather than
converting it to Microsoft Word....


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Received on Mon Jun 29 2020 - 11:30:03 PDT
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