Hello!
I am trying to install the parallelized AMBER version on my university's HPC and I am running into some issues following the amber23.pdf documentation available on the main website.
I have installed Ambertools23 and Amber22 following the instructions presented and it ran and tested successfully without errors or complaints.
I confirmed that mpi is installed, alongside compilers mpicc and mpif90
Afterwards, I did as instructed:
cd $AMBERHOME/AmberTools/src
./configure_mpich mpif90
The file could not be found, and checking with ls did not find anything either.
The HPC's distro is "Debian GNU/Linux 10 (buster)"
Thank you for your assistance,
RK
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Received on Tue Aug 22 2023 - 03:30:01 PDT
