On Sat, Jan 07, 2023, Dulal Mondal via AMBER wrote:
>
>*I have installed the amber 22 mpi version with openmpi. My run cmake file
>is like this*.
>
>Assume this is Linux:
>
> cmake $AMBER_PREFIX/amber22_src \
> -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
> -DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE \
> -DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
> -DDOWNLOAD_MINICONDA=FALSE -DBUILD_GUI=FALSE \
> 2>&1 | tee cmake.log
>
>*After testing it shows the following results.*
>
>159 file comparisons passed
>2 file comparisons failed (1 of which can be ignored)
>0 tests experienced an error
>
>Summary of AmberTools parallel tests:
>
>1187 file comparisons passed
>2 file comparisons failed (0 of which can be ignored)
>1 tests experienced errors
The errors seem to involve kmmd, which is a very new module, that may give
somewhat different results on different distros. Unless you plan to use
that, you should be fine.
....dac
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Received on Sat Jan 07 2023 - 18:30:03 PST
