[AMBER] problems building pmemd26 with cuda support on ubuntu26.

From: Scott McCullough via AMBER <amber.ambermd.org>
Date: Thu, 21 May 2026 12:57:02 +0000

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



INDIANA WESLEYAN UNIVERSITY

4201 SOUTH WASHINGTON STREET

MARION, INDIANA 46953-4974



765-677-1925

scott.mccullough2.indwes.edu<mailto:scott.mccullough2.indwes.edu>


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Received on Thu May 21 2026 - 06:30:04 PDT
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