[AMBER] pmemd.cuda in Amber24 is failing all test (RTX 5090 + CUDA 12.9)

From: Biplab Ghosh via AMBER <amber.ambermd.org>
Date: Wed, 16 Jul 2025 17:35:32 +0530

Dear Amber Developers/Experts,

I have been trying to install amber24 on a new workstation running Rocky
Linux 9.6. Installed GPU is Geforce RTX 5090 Rog Astral (ASUS) and cuda
version is 12:9.

I could manage the installation by changing the cuda version in the
cuda-config file and also disabling APBS.

When I run the "test_amber_cuda_serial" test, it fails all. Please see the
attached log file. The main error is "cudaMemcpyToSymbol: SetSim copy to
cSim failed no kernel image is available for execution on the device".

Please help me to get over from this.

With regards,
Biplab.

__
Dr. Biplab Ghosh
Bhabha Atomic Research Center
Trombay, Mumbai 400085, Indua


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Received on Wed Jul 16 2025 - 04:30:02 PDT
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