[AMBER] MMPBSA.py.MPI not build in Amber20

From: Setyanto Md <stwahyudi.md.gmail.com>
Date: Sat, 12 Dec 2020 20:08:54 +0700

Dear Amber User and Developer.

I've been successful to compile Amber20 using cmake.
I just followed the instruction in this site:
  1. Choose a build directory outside of the Amber source directory
  2. Run the configuration command.

This is the command that I used:
cmake ../amber20_src/

I also managed to build pmemd.cuda using advice from Professor David. A

but unfortunately, the MMPBSA.py.MPI not successful compile.

I'll try to called in command line : MMPBSA.py.MPI, was not appear.

I've used mpich and configure it in folder AmberTools/sr.

I also try to re-compile using legacy configure, and the result is the same.

can anyone help? Thank you

My computer configuration:
OS : Ubuntu 20
CPU : AMD threadripper 3970x
GPU: Nvidia RTX3080

Setyanto Tri W
Biophysics Division,
Department of Physics - IPB Univesity
Gedung Fisika Wing-S Lt.2 Jl. Meranti
Kampus IPB Darmaga
Bogor - 16680
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Received on Sat Dec 12 2020 - 05:30:02 PST
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