Re: [AMBER] [EXTERNAL] Error: Incompatible CUDA and GNU versions

From: Chakrabarti, Mayukh \(NIH/NCI\) \[C\] via AMBER <"Chakrabarti,>
Date: Tue, 14 Nov 2023 15:49:17 +0000

Hi, out of curiosity, which version of CMake are you using? I think some older versions of CMake might generate such errors during the configuration process. I have used CMake 3.25+ without issues (at least for the build step).

From: Info via AMBER <amber.ambermd.org>
Date: Tuesday, November 14, 2023 at 10:40 AM
To: amber.ambermd.org <amber.ambermd.org>
Subject: [EXTERNAL] [AMBER] Error: Incompatible CUDA and GNU versions
I am trying to install Amber 22 on a RedHat 8 system with a Quadro RTX 4000 GPU. When I run the configure script I get the error below. My gcc is 8.5.0 which should be compatible with cuda 11.8 ( supports upto gcc 11 )

(amber) [hussaif1.delltower48 build]$ ./configure_cmake.py --prefix /home/hussaif1/amber/ --compiler gnu --cuda --install-tests --python --with-python $(which python) --no-miniconda --force-internal-libs="blas;lapack;arpack;netcdf" --no-check-updates --no-apply-updates --no-color-message --save
Starting configure_cmake.py on Tue Nov 14 09:42:44 2023

.... ( snipped )

-- Found CUDA: /usr/local/cuda-11.8 (found version "11.8")
-- CUDA version 11.8 detected
-- Configuring for SM3.5, SM5.0, SM5.2, SM5.3, SM6.0, SM6.1, SM7.0, SM7.5 and SM8.0 
--
************************************************************
Error: Incompatible CUDA and GNU versions
 8.5.0
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Received on Tue Nov 14 2023 - 08:00:02 PST
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