Re: [AMBER] AMBER 18 cuda installation error

From: <>
Date: Mon, 30 Nov 2020 08:06:20 -0500

Hi Mariangela,

        Do you still have problem to compile after update? Also, please
remember to re-install (configure) AMBER after the updates.

        Let us know the results. Thanks!


-----Original Message-----
From: David A Case <>
Sent: Friday, November 27, 2020 8:14 AM
To: AMBER Mailing List <>
Cc: Taisung Lee <>
Subject: Re: [AMBER] AMBER 18 cuda installation error

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


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Received on Mon Nov 30 2020 - 05:30:03 PST
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