Hi Andy,
Thank you so much, it worked. I successfully built the amber24.
On Sun, Nov 10, 2024 at 6:48 PM Goetz, Andreas <awgoetz.ucsd.edu> wrote:
> 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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>
> https://urldefense.com/v3/__http://lists.ambermd.org/mailman/listinfo/amber__;!!Mih3wA!DE5qAVngVyjdz4q4d5YQZV6SRlWFzvRWJ4UCAo4LanqKRRSWbQ7_aRF48Bk_rn57VC2kdzd902xr1w$
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>
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Received on Mon Nov 11 2024 - 09:00:02 PST
