Hi,
By default code is generated for all GPUs supported by the CUDA version you have installed. SM3.0 (Kepler) support was dropped in CUDA 11.1. This error
nvcc fatal : Unsupported gpu architecture ‘compute_30'
indicates that you may have configured with CUDA version <= 11.0 but try to compile with a newer version. I suggest you remove your build files (run ./clean_build in the build directory) and run cmake again.
Alternatively, if you intend to use only the RTX A6000, you can add -DQUICK_USER_ARCH=ampere to the cmake flags and run cmake again. This will generate QUICK code only for Ampere architectures (inclduing the RTX A6000). It has the nice side effect of speeding up your build because the compiler will not generate code for each possible architecture. Note this works only QUICK, so other CUDA codes (including pmemd.cuda) may still fail to compile.
All the best,
Andy
—
Dr. Andreas W. Goetz
Associate Research Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
On Nov 9, 2024, at 8:24 PM, Md Fulbabu Sk via AMBER <amber.ambermd.org> wrote:
Hey all,
I am trying to install amber24 on my rocky8.5 with cuda 11 and gpu rtx
a6000. MPI version build successful but -DCUDA= TRUE stuck in below error,
Any suggestions?
"""""
[ 43%] Linking Fortran static library libpbsa_sander_mpi.a
[ 43%] Built target pbsa_sander_mpi
[ 43%] Built target sff_fortran_mpi
[ 43%] Linking Fortran executable sander.MPI
[ 43%] Built target sander.MPI
[ 43%] Linking Fortran executable sander.LES.MPI
[ 47%] Built target sander.LES.MPI
[ 49%] Built target xc_gpu
[ 49%] 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
/Scr/fulbabu/amber/amber24/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:931:
AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/__/__/cuda/xc_cuda_generated_gpu_getxc.cu.o]
Error 1
make[1]: *** [CMakeFiles/Makefile2:9252:
AmberTools/src/quick/src/libxc/maple2c_device/CMakeFiles/xc_cuda.dir/all]
Error 2
make: *** [Makefile:156: all] Error 2
"""""
Thank you
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Received on Sun Nov 10 2024 - 17:00:01 PST
