Re: [AMBER] problems installing Amber20 + AmberTools21 parallel version with open-mpi

From: David A Case <david.case.rutgers.edu>
Date: Fri, 11 Mar 2022 11:28:00 -0500

On Fri, Mar 11, 2022, Antonija Tomić wrote:

>Thank you for your suggestion but unfortunately this didn’t help.
>After running “sudo ./run_cmake” with applied correction:
>
># Assume this is Linux:
>
> cmake $AMBER_PREFIX/amber20_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber20 \
> -DCOMPILER=GNU \
> -DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=TRUE -DMINICONDA_USE_PY3=TRUE \
> -DDISABLE_TOOLS="mmpbsa_py" \
> 2>&1 | tee cmake.log

My fault here, I think. Try -DDISABLE_TOOLS="mpi4py-3.0.3"

....dac


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Received on Fri Mar 11 2022 - 08:30:02 PST
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