On Mon, Aug 22, 2022, Rybenkov, Valentin V. via AMBER wrote:
>
>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.”
Did you try the workaround cited in the forum post you are quoting?
(
http://archive.ambermd.org/202206/0040.html) That has worked for several
users. We don't have a "solution" for CentOS/RHELS -- with some
combinations of GNU and CUDA it is OK, but for others it is not.
...good luck...dac
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Received on Tue Aug 23 2022 - 05:30:03 PDT
