Re: [AMBER] Amber20 installation, Amber.pip file broken

From: David A Case <>
Date: Mon, 21 Jun 2021 16:37:54 -0400

On Mon, Jun 21, 2021, Balogh Álex Kálmán wrote:
>Ubuntu's version is 20.04.2 LTS.
>I have reinstalled through:
>cd /home/sturvo
>tar xvfj AmberTools20.tar.bz2
>tar xvfj Amber20.tar.bz2
>cd amber20_src/build
>make install
>I still get the same error only now in the new location:
>CMake Error at /home/sturvo/amber20_src/cmake/FixCondaShebang/FixCondaShebang.cmake:26 (file):
> file failed to open for reading (No such file or directory):
> /home/sturvo/amber20//bin/amber.pip

Do you have a /home/sturvo/amber20/miniconda folder? Is there a "bin"
folder inside it, with python and other programs? It would also help to see
the output from "ls" when you are in the /home/sturvo/amber20/bin folder.

You will probably need to examine both the cmake.out file and the results
of the "make install" command (type "make install | tee install.log").
If you can't see obvious errors coming up, please post these files.

>I did the tests as another person suggested:
>export DO_PARALLEL="mpirun -np 2"
>make test.parallel

The default run_cmake doesn't build any parallel codes (it has -DMPI=FALSE).
So if you try to run the parallel tests, they will all fail, as you find.

Fixing the shebang lines is the very last thing the installation script
does, and most users don't need that anyway. So I'm still hopeful that
your installation is actually in a useable state. Start with just "make
test.serial", since that is what you will have built by default.


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Received on Mon Jun 21 2021 - 15:00:03 PDT
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