Re: [AMBER] Error - Amber 22 Installation with Cuda

From: David A Case via AMBER <>
Date: Mon, 20 Feb 2023 20:41:50 -0500

On Mon, Feb 20, 2023, Osadchey Brown, Reilly via AMBER wrote:
>For me, this was fixed by adding one line to the CMakeLists.txt
>file. Please see the below text which shows the start of my CMakelists.txt
>file and has the added line.
>Reilly Osadchey Brown
>cmake_minimum_required(VERSION 3.8.1)
>project(Amber NONE)
>#version number
>set(Amber_MAJOR_VERSION 22)
>set(Amber_MINOR_VERSION 0)
>set(Amber_PATCH_VERSION 0)
># flag to submodules to tell them to not run their own version of AmberCmakeConfig

Thanks for this! We'll look into things.

I'm cc-ing to Taisung, who may know something here. As the error message
(below) states, we should no longer be including CUB files. Problem is how to
support both recent nvidia SDK's (which include CUB) and older versions
(which do not).


>/usr/include/thrust/system/cuda/config.h:79:2: error: #error The version of
>CUB in your include path is not compatible with this release of Thrust. CUB
>is now included in the CUDA Toolkit, so you no longer need to use your own
>checkout of CUB. Define THRUST_IGNORE_CUB_VERSION_CHECK to ignore this.

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Received on Mon Feb 20 2023 - 18:00:03 PST
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