On Tue, Apr 01, 2025, Aravind Sankaran via AMBER wrote:
>
>I'm trying to install amber24 from source at the Julich Supercomputing
>Center. Our system uses CUDA 12.6 and GCC 13.3. The build fails after
>throwing some errors from the PBSA module, specifically pointing to
>undefined or missing explicit type errors from the cusplibrary-cuda9.
>Could this be due to the incompatibility with the CUDA versions >
>12.4? If so, is there a fix for this without having to downgrade CUDA?
>Otherwise, is there someway to continue the build without the PBSA
>module?
I think this will work: edit $AMBERHOME/AmberTools/src/pbsa/CMakeLists.txt:
at about line 145, change "if(CUDA)" to "if(FALSE)". That should skip
building pbsa.cuda, while allowing other cuda programs to proceed.
We are working on getting pbsa to work with CUDA 12.6, but that is still in
progress. The upcoming release of AmberTools25 (due later this month) will
have a CMake variable that will accomplish the same task without requiring
any hand-editing.
...hope this helps....dac
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Received on Tue Apr 01 2025 - 11:00:02 PDT
