On Fri, Mar 11, 2022, Antonija Tomić wrote:
>
>After modifying “-DMPI=TRUE” and performing “sudo ./run_cmake” I
>initialized “sudo make install” and got the following error (the whole
>output is given in attached file):
>
>collect2: error: ld returned 1 exit status
>failure.
>removing: _configtest.c _configtest.o
>error: Cannot link MPI programs. Check your configuration!!!
Try adding the following line to your run_cmake file:
-DDISABLE_TOOLS="mmpbsa_py"
Updates to mpi4py (which get downloaded when you re-install miniconda) seem
to have broken the parallel version of mmpbsa_py. This *should* all
everything else to build, but I've not tested this myself.
...hope this helps....dac
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Received on Fri Mar 11 2022 - 05:30:02 PST
