Re: [AMBER] problems installing Amber20 + AmberTools21 parallel version with open-mpi

From: Antonija Tomić <Antonija.Tomic.irb.hr>
Date: Tue, 15 Mar 2022 19:45:22 +0100

THANK you!

Using -DBUILD_PYTHON=FALSE I finally managed to install parallel version
of Amber. However, I am not able to perform the tests (this is probably
expected?). This is what I get after "make test.parallel":

Tests being run with DO_PARALLEL="mpirun -np 2".


Error: Could not import Amber Python modules!
    Probably your Amber Python environment was not set up correctly.

We recommend adding the line:

    test -f /usr/local/amber20/amber.sh && source
/usr/local/amber20/amber.sh (sh/bash/zsh)
or
    test -f /usr/local/amber20/amber.csh && source
/usr/local/amber20/amber.csh (csh/tcsh)

to your login shell resource file (e.g., ~/.bashrc or ~/.cshrc).

make: *** [Makefile:18: test.parallel] Error 1

---
------------------------------------------
dr. sc. Antonija Tomić
LBPMM, Institut Ruđer Bošković
  Bijenička cesta 54, 10000 Zagreb, Croatia
Dana 15.03.2022 13:42, David A Case je napisao(la):
> On Tue, Mar 15, 2022, Antonija Tomić wrote:
> 
>> I am using Ubuntu 20.04 and I have installed open-mpi applying "apt -y 
>> install openmpi-bin libopenmpi-dev".
> 
> You can go all in and try -DBUILD_PYTHON=FALSE in the run_cmake script.
> 
> ....dac
> 
> 
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Received on Tue Mar 15 2022 - 12:00:03 PDT