On 21/05/2026 15:57, Scott McCullough via AMBER wrote:
> Hello,
> I am attempting to build pmemd26 with CUDA support on Ubuntu 26.04 LTS (Resolute Raccoon), glibc 2.43, GCC 12.5, and CUDA 12.5. The build fails with exception specification conflicts in the xray CUDA module:
> cospi, sinpi, rsqrt (and float variants) — noexcept mismatch between /usr/include/x86_64-linux-gnu/bits/mathcalls.h and /usr/local/cuda/include/crt/math_functions.h
> CUDA 13.1 is available but rejected by CMake (version ceiling is 12.9). CUDA 12.6 cannot be installed via apt on Ubuntu 26.04, and the runfile installer fails due to libxml2 not being available on this OS version.
> Has anyone solved this, or is there a planned patch for glibc 2.43 / Ubuntu 26.04 compatibility?
> Thank you.
> W. Scott McCullough
> Department of Mathematics
> Department of Physics
Hi there, I had the same situation, even though I'm using cuda-12.8. The problem is actually in cuda, and you will have to patch it for it to work. The file to fix is math_functions.h. I'm attaching
my patch. Please note that this is for cuda-12.8, so you may need to fuzz some line for the 12.5.
Cheers,
Charo
--
Prof. Charo I. del Genio
Institute of Smart Agriculture for Safe and Functional Foods and Supplements, Trakia University, Stara Zagora, Bulgaria
Institute of Interdisciplinary Intelligent Science, Ningbo University of Technology, Ningbo, China
School of Mathematics, North University of China, Taiyuan, China
Editor in Chief of Chaos, Solitons & Fractals
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 21 2026 - 06:30:05 PDT
