Hi,
I need help please, I was unable to compile and install amber22 on cuda. The MPI version on cpu was installed fine.
My system is :
CentOS 7.9
gcc 7.2
cmake 3.17
CUDA - I've tried both 10.1.168 and 11.2
The GPU Card is : P100
Here are the build/configure/install commands. So run_cmake is in /share/apps/amber/amber22_src/build
module load cuda
export CUDA_HOME=/share/apps/cuda/11.2.0
module load gcc
module load cmake
cd /share/apps/amber/amber22_src/build
./run_cmake
make install
The make install gets to 89% with no issues but here is where it crashes. I get the exact same error if I run it with CUDA 10.1.168 as well.
---------------------------------------
[ 89%] Building NVCC (Device) object src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o
/share/apps/cuda/11.2.0/include/thrust/detail/allocator/allocator_traits.h(245): error: class "thrust::detail::device_delete_allocator" has no member "value_type"
detected during:
instantiation of class "thrust::detail::allocator_traits<Alloc> [with Alloc=thrust::detail::device_delete_allocator]"
(402): here
instantiation of class "thrust::detail::allocator_system<Alloc> [with Alloc=thrust::detail::device_delete_allocator]"
/share/apps/cuda/11.2.0/include/thrust/detail/allocator/destroy_range.inl(137): here
instantiation of "thrust::detail::allocator_traits_detail::enable_if_destroy_range_case2<Allocator, Pointer>::type thrust::detail::allocator_traits_detail::destroy_range(Allocator &, Pointer, Size) [with Allocator=thrust::detail::device_delete_allocator, Pointer=thrust::device_ptr<xray::Sym33>, Size=size_t]"
/share/apps/cuda/11.2.0/include/thrust/detail/allocator/destroy_range.inl(158): here
.........
........
Error generating file
/share/apps/amber/amber22_src/build/src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/./pmemd_xray_cuda_generated_BulkMaskGPU.cu.o
make[2]: *** [src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o] Error 1
make[1]: *** [src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/all] Error 2
make: *** [all] Error 2
---------------------------------------
Thanks
Adel
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Received on Wed Aug 24 2022 - 09:30:05 PDT
