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 Sat Nov 09 2024 - 20:30:01 PST
