Dear AMBER users,
I am trying to install AMBER22 with Cuda. I am getting the error :
After running "./run_cmake" ; When I run "make install" I get the following
error :
Scanning dependencies of target pmemd_xray_contracts
[ 90%] Built target pmemd_xray_contracts
Scanning dependencies of target pmemd_xray_gpu
[ 90%] Built target pmemd_xray_gpu
Scanning dependencies of target pmemd_obj_cuda
Consolidate compiler generated dependencies of target pmemd_obj_cuda
[ 91%] Built target pmemd_obj_cuda
Scanning dependencies of target pmemd_obj_cuda_mpi
Consolidate compiler generated dependencies of target pmemd_obj_cuda_mpi
[ 93%] Built target pmemd_obj_cuda_mpi
[ 93%] Building NVCC (Device) object
src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir/pmemd_cuda_SPFP_generated_kNLRadixSort.cu.o
In file included from
/usr/include/thrust/system/cuda/detail/execution_policy.h:35,
from /usr/include/thrust/iterator/detail/device_system_tag.h:23,
from /usr/include/thrust/iterator/detail/iterator_facade_category.h:22,
from /usr/include/thrust/iterator/iterator_facade.h:37,
from
/home/abdel/SOFT/amber22_src/src/pmemd/src/./cub/device/../iterator/arg_index_input_iterator.cuh:48,
from
/home/abdel/SOFT/amber22_src/src/pmemd/src/./cub/device/device_reduce.cuh:41,
from /home/abdel/SOFT/amber22_src/src/pmemd/src/./cub/cub.cuh:53,
from /home/abdel/SOFT/amber22_src/src/pmemd/src/cuda/kNLRadixSort.cu:14:
/usr/include/thrust/system/cuda/config.h:79:2: error: #error The version of
CUB in your include path is not compatible with this release of Thrust. CUB
is now included in the CUDA Toolkit, so you no longer need to use your own
checkout of CUB. Define THRUST_IGNORE_CUB_VERSION_CHECK to ignore this.
79 | #error The version of CUB in your include path is not compatible with
this release of Thrust. CUB is now included in the CUDA Toolkit, so you no
longer need to use your own checkout of CUB. Define
THRUST_IGNORE_CUB_VERSION_CHECK to ignore this.
| ^~~~~
CMake Error at
pmemd_cuda_SPFP_generated_kNLRadixSort.cu.o.RELEASE.cmake:218 (message):
Error generating
/home/abdel/SOFT/amber22_src/build/src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir//./pmemd_cuda_SPFP_generated_kNLRadixSort.cu.o
make[2]: ***
[src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir/build.make:1676 :
src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir/pmemd_cuda_SPFP_generated_kNLRadixSort.cu.o]
Erreur 1
make[1]: *** [CMakeFiles/Makefile2:9879 :
src/pmemd/src/cuda/CMakeFiles/pmemd_cuda_SPFP.dir/all] Erreur 2
make: *** [Makefile:156 : all] Erreur 2
Best regards
Abdelatif Messaoudi
LCMVAR, University of Batna1, Algeria
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Received on Mon Feb 20 2023 - 12:00:03 PST
