Hi,
I am installing the gpu version of Amber22. AmberTools22, serial and parallel versions have been installed. This is a CentOS 7.9 machine with OpenMPI 4.1.1, CUDA 11.5.
At the stage of “make install”, I am getting the following error message (and many more similar lines to follow).
[ 87%] Building NVCC (Device) object src/pmemd/src/xray/cuda/CMakeFiles/pmemd_xray_cuda.dir/src/xray/pmemd_xray_cuda_generated_BulkMaskGPU.cu.o
/opt/oscer/software/CUDAcore/11.1.1/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]"
I found similar reports in the forum:
“This problem was detected during beta testing on various platforms:
RHELS 7.9 with GNU 9.1.0 and nvcc's 11.2.152, 11.1.105, 11.0.221;
CentOS 7.9 with GNU 10.2.0 and nvcc 11.1.74.
And was reported by user Felix Bangerter
on CentOS 7.8 with GNU 7.1.0 and CUDA 10.2.89.
For him the same problems did not occur when using CUDA 11.4.1.”
So, if the issue has been resolved for CUDA 11.4.1, I thought it would be resolved for CUDA 11.5 too, but apparently not. More so, the error message mentions CUDAcore/11.1.1. Apparently I am using two different versions of CUDA. At which stage during installation was this CUDAcore 11.1.1 set?
I might have used earlier versions of CUDA to build AmberTools22 and initially build Amber22. Once the problem with the pmemd_xray_cuda surfaced, I made sure to load CUDA 11.5 and reran “./run_cmake” and “make install”. However, the same error was generated during “make install”. Any suggestions?
Thanks,
Valentin
Valentin V. Rybenkov
University of Oklahoma
101 Stephenson Parkway
Norman, OK 73019
Web: antibiotics.oucreate.com
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Received on Mon Aug 22 2022 - 14:00:04 PDT
