Re: [AMBER] Compiling CUDA - gpu compatability

From: Daniel Roe via AMBER <amber.ambermd.org>
Date: Mon, 19 Aug 2024 11:21:44 -0600

I can’t find the exact emails at the moment, but I feel like I’ve had
issues with both gcc9 and cuda 11.0 in the past. Is it possible for you to
try gcc10 or 11 and cuda 11.4 or 11.8?

-Dan

On Mon, Aug 19, 2024 at 9:18 AM Alexander Hung Lee <Alexander.Lee.uga.edu>
wrote:

> Hi Dan,
>
> I'm using CUDA 11.0 w/ gcc 9.4.0.
>
> Alex Lee
> Woods Lab
> ahl63010.uga.edu
> ------------------------------
> *From:* Daniel Roe <daniel.r.roe.gmail.com>
> *Sent:* Saturday, August 17, 2024 4:45 PM
> *To:* Alexander Hung Lee <Alexander.Lee.uga.edu>; AMBER Mailing List <
> amber.ambermd.org>
> *Subject:* Re: [AMBER] Compiling CUDA - gpu compatability
>
> You don't often get email from daniel.r.roe.gmail.com. Learn why this is
> important <https://aka.ms/LearnAboutSenderIdentification>
> [EXTERNAL SENDER - PROCEED CAUTIOUSLY]
>
>
> Hi,
>
> What version of CUDA are you using?
>
> -Dan
>
> On Thu, Aug 15, 2024 at 2:53 PM Alexander Hung Lee via AMBER <
> amber.ambermd.org> wrote:
>
> Hi everyone,
>
> I am running Amber24 on Ubuntu 20.04. On this webpage
> https://ambermd.org/GPUHardware.php, I saw pmemd.cuda is compatability
> with RTX-A5000 and A6000, but is it compatable with A2000? I got an
> "unsupported gpu architecture" error when installing.
>
> [ 53%] Linking Fortran static library libxc_gpu.a
> [ 53%] Built target xc_gpu
> [ 53%] Building NVCC (Device) object
> AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/__/__/cuda/xc_cuda_generated_gpu_getxc.cu.o
> nvcc fatal : Unsupported gpu architecture 'compute_30'
> CMake Error at xc_cuda_generated_gpu_getxc.cu.o.RELEASE.cmake:218
> (message):
> Error generating
>
> /home/huong/programs/amber24_src/build/AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/__/__/cuda/./xc_cuda_generated_gpu_getxc.cu.o
>
>
> make[2]: ***
> [AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/build.make:919:
> AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/__/__/cuda/xc_cuda_generated_gpu_getxc.cu.o]
> Error 1
> make[1]: *** [CMakeFiles/Makefile2:9852:
> AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/all]
> Error 2
> make: *** [Makefile:152: all] Error 2
>
>
> Alex Lee
> PhD Student
> Woods Research Group<https://woodsgroup.franklinresearch.uga.edu/>
> Department of Biochemistry & Molecular Biology
> Complex Carbohydrate Research Center
> University of Georgia
>
> 315 Riverbend Rd.
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Received on Mon Aug 19 2024 - 10:30:02 PDT
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