[AMBER] Another way to disable building pbsa.cuda (e.g. for CUDA 12.6)

From: David A Case via AMBER <amber.ambermd.org>
Date: Fri, 7 Mar 2025 11:14:51 -0700

On March 5, RUBEN ANTONIO ROMO MANCILLAS wrote:

> Recently, I have tried to compile Amber in Ubuntu-WSL with cuda 12.6. The
> serial and parallel versions were compiled without errors, only some
> warnings on the tests. But when I tried to compile for GPU, at compiling
> cuda_LinearSolvers.cu, the errors in the attached file prevent the
> compilation.

The error is in making pbsa.cuda, which you may not need. If so, try the
following:

edit $AMBERHOME/AmberTools/src/pbsa/CMakeLists.txt. At about line 145,
change "if(CUDA)" to "if(FALSE)". This should turn off building the cuda
version of pbsa without disabling all the other CUDA codes that you want.

Caveat: I've not tested this, but it's worth a try, and is simpler than
other options. If it works, we will make this a cmake option in upcoming
releases.

...good luck...dac




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Received on Fri Mar 07 2025 - 10:30:02 PST
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