Dear Mingxuan
I had the same problem and managed to solve it by installing CUDA 11.8.
Em sex., 10 de nov. de 2023 às 06:56, Mingxuan Jiang via AMBER <
amber.ambermd.org> escreveu:
> Dear Sir/Mdm,
>
> I am Ming, a PhD student from CRUKCI, and a user of AMBER for a few years
> now.
>
> Recently, our HPC cluster has upgraded to CUDA-12.3, and I was hoping to
> compile AMBER22. However, when running ./run_cmake,
>
> The following message was received:
>
> Basically, the cuda version is too high on the HPC. What would be the best
> way to resolve this?
>
>
> --
> **************************************************************************
>
> -- Starting configuration of Amber version 22.0.0...
>
> -- CMake Version: 3.20.2
>
> -- For how to use this build system, please read this wiki:
>
> -- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake
>
> -- For a list of important CMake variables, check here:
>
> -- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
>
> --
> **************************************************************************
>
> -- Amber source found, building AmberTools and Amber
>
> -- Looking for pthread.h
>
> -- Looking for pthread.h - found
>
> -- Performing Test CMAKE_HAVE_LIBC_PTHREAD
>
> -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed
>
> -- Looking for pthread_create in pthreads
>
> -- Looking for pthread_create in pthreads - not found
>
> -- Looking for pthread_create in pthread
>
> -- Looking for pthread_create in pthread - found
>
> -- Found Threads: TRUE
>
> -- Found CUDA: /usr/local/cuda (found version "12.3")
>
> -- CUDA version 12.3 detected
>
> CMake Error at cmake/CudaConfig.cmake:84 (message):
>
> Error: Untested CUDA version. AMBER currently requires CUDA version >=
> 7.5
>
> and <= 12.1.
>
> Call Stack (most recent call first):
>
> CMakeLists.txt:119 (include)
>
>
>
>
>
> -- Configuring incomplete, errors occurred!
>
> See also
> "/Users/jiang02/new_amber/amber22_src/build/CMakeFiles/CMakeOutput.log".
>
> See also
> "/Users/jiang02/new_amber/amber22_src/build/CMakeFiles/CMakeError.log".
>
>
>
> If errors are reported, search for 'CMake Error' in the cmake.log file.
>
>
>
> If the cmake build report looks OK, you should now do the following:
>
>
>
> make install
>
> source /Users/jiang02/new_amber/amber22/amber.sh
>
>
>
> Consider adding the last line to your login startup script, e.g. ~/.bashrc
>
>
>
>
>
> Thank you!
>
> Best wishes,
> Mingxuan Jiang
>
> Postgraduate
> Creixell Lab
> CRUK Cambridge Institute
> University of Cambridge
>
> [signature_3624537872] [signature_2211256392]
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Nov 10 2023 - 02:30:02 PST
