On Wed, Dec 16, 2020, Raman Jangra wrote:
>
>I am Raman, currently enrolled as Ph.D. student. I am trying to compile
>amber20 with cuda support on Ubuntu. Simple pmemd and sander works fine,
>but when I try to build GPU code through following steps (as available on
>amber official website) -
>
>cd $AMBERHOME
> make clean
> ./configure -cuda gnu (or intel)
> make install
Do you have a "Makefile" file in $AMBERHOME? Does the AMBERHOME
variable have the correct info in it? (Try 'cd $AMBERHOME; ls).
You can try just skipping the "make clean" step and continuing, but I
suspect that something else is wrong. The obvious culprit is
$AMBERHOME.
Good news is that learning how to debug things like this has important
educational benefits, since glitches of one sort or another happen
frequently in scientific computing.
....dac
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Received on Wed Dec 16 2020 - 06:30:05 PST
