Re: [AMBER] AMBER 18 cuda installation error

From: Mariangela Dametto <>
Date: Mon, 30 Nov 2020 09:25:25 -0300

Deall all,

Thank you very much for your help.

I would like to share the solution that worked for me.

I could solve my problem by running the script ./configure_python (that is
in the folder AMBERHOME/AmberTools/src) at the beginning of the whole
I had to run this script even before asking for the update_amber (as David
Case warned me to do), otherwise there were several python libraries

Best regards,

On Fri, Nov 27, 2020 at 10:18 AM David A Case <>

> On Wed, Nov 25, 2020, Mariangela Dametto wrote:
> >
> >I am facing a problem when installing AMBER 18 with CUDA on Docker. Both
> >serial and parallel parts of the code are successfully installed on CPUs.
> I
> >tried to install using both CUDA 9.0 and CUDA 10.2, and I got the same
> >error. I saw the problem posted before, but I could not find the reply.
> >The gcc version is 7.5.0.
> >
> >Below are the last lines of the installation process, and the lines of the
> >file "simulationConst.h".
> The references to simulationConst.h are just warnings. The real error
> is this one:
> >ptxas fatal : Unresolved extern function '_Z13faster_sincosdPdS_'
> >Makefile:50: recipe for target 'gti_energies_kernels.o' failed
> I'm cc-ing this to Taisung in case he has any ideas. Also, please be
> sure that you have installed all updates:
> cd $AMBERHOME && ./update_amber --update
> ...regards....dac
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Received on Mon Nov 30 2020 - 04:30:02 PST
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