[AMBER] Compiling CUDA - gpu compatability

From: Alexander Hung Lee via AMBER <amber.ambermd.org>
Date: Thu, 15 Aug 2024 18:49:42 +0000

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.
Athens, GA 30602
Email: ahl63010.uga.edu
Mobile: (470) 641-3884
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Received on Thu Aug 15 2024 - 12:00:02 PDT
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