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

From: David A Case via AMBER <amber.ambermd.org>
Date: Mon, 28 Nov 2022 09:15:08 -0500

On Thu, Nov 24, 2022, Gert Kruger via AMBER wrote:
>
>I am trying to install Amber 22 on the following workstation:
>
>MX Linux (MX-21.2.1 Desktop, Debian version 11.5)
>CPU: 16-Core AMD Ryzen 9 5950X (-MT MCP-) speed/min/max: 4630/2200/3400 MHz
>GPU: NVIDIA GA102GL [RTX A6000] driver: nvidia v: 510.85.02
>
>[ 94%] Building NVCC (Device) object src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir/pmemd_cuda_SPFP_generated_kNLRadixSort.cu.o
>In file included from /usr/include/thrust/system/cuda/detail/execution_policy.h:33,
>from /usr/include/thrust/iterator/detail/device_system_tag.h:23,
>from /usr/include/thrust/iterator/detail/iterator_facade_category.h:22,
>from /usr/include/thrust/iterator/iterator_facade.h:37,
>from /home/gert/amber22_src/src/pmemd/src/./cub/device/../iterator/arg_index_input_iterator.cuh:48,
>from /home/gert/amber22_src/src/pmemd/src/./cub/device/device_reduce.cuh:41,
>from /home/gert/amber22_src/src/pmemd/src/./cub/cub.cuh:53,
>from /home/gert/amber22_src/src/pmemd/src/cuda/kNLRadixSort.cu:14:
>
>/usr/include/thrust/system/cuda/config.h:78:2: 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.

Did you try adding -DTHRUST_IGNORE_CUB_VERSION_CHECK to your run_cmake
script?

...hope this helps...looks like you have a nice, but very up-to-date system.
Maybe GPU gurus on the list will have some comments here.

....dac


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Received on Mon Nov 28 2022 - 06:30:02 PST
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