Could you post the error message here?
On Wednesday, December 16, 2020, divyabharathi korlepara <
divyabharathik938.gmail.com> wrote:
> Dear Amber Experts,
> I installed the Ambertools20 using openmpi-4.0.1 version using
> the following steps.
> cd amber_20src
> module load openmpi/4.0.1
> serial:
> ./configure -noX11 gnu
> make -j 4 install
> source ~/amber_20src/amber.sh
> amber.conda install mpi4py
> ./configure -noX11 -mpi gnu
> make -j4 install.
>
> I followed the above steps to install ambertools, I got serial and parallel
> version executables of MMPBSA.
>
> serial version is working fine.
>
> The parallel version is giving me errors sometimes.
>
> Can someone tell me the problem with my installation.
>
> Thanks,
> Divya.
>
>
> Dr. Divya Bharathi,
> Post Doctoral Fellow,
> IIIT
> Hyderabad-500032.
> INDIA.
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Best Regards
Elvis
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Received on Wed Dec 16 2020 - 18:00:02 PST
