Thank you for your help.
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
./run_cmake
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
I did the tests as another person suggested:
export DO_PARALLEL="mpirun -np 2"
cd $AMBERHOME
source amber.sh
make test.parallel
And I got this message (end of it):
Summary of AmberTools parallel tests:
3 file comparisons passed
1 file comparisons failed (0 of which can be ignored)
429 tests experienced errors
Test log file saved as /home/sturvo/amber20///logs/test_at_parallel/2021-06-21_16-51-14.log
No test diffs to save!
With export DO_PARALLEL="mpirun -np 4" I got:
Summary of AmberTools parallel tests:
3 file comparisons passed
3 file comparisons failed (0 of which can be ignored)
385 tests experienced errors
Test log file saved as /home/sturvo/amber20///logs/test_at_parallel/2021-06-21_16-53-10.log
No test diffs to save!
Am I doing something wrong?
Best wishes,
Alex
----- Eredeti üzenet -----
Feladó: "aishen" <aishen.free.fr>
Címzett: "amber" <amber.ambermd.org>
Elküldött üzenetek: Csütörtök, 2021. június 17. 18:11:14
Tárgy: Re: [AMBER] Amber20 installation, Amber.pip file broken
which version of ubuntu ?
What do you call a normal installation ? For me I compile it, or I use
conda ambertools, any way you shouldn't have this path,
should be something like /home/sturvo/amber20/bin done by amber20_src
your amber20_src should be /home/sturvo/amber20_src and you should
compile with run... script in build dir amber20 is created when you make
install
On 17/06/2021 10:34, Balogh Álex Kálmán wrote:
> Dear Developers!
>
> I'm just a novice in Ubuntu and Amber software and I have a problem during installation of Amber20.
>
> During normal installation as it is written in the user manual without changing any options I get this error:
>
> CMake Error at /home/sturvo/Amber/bin/Amber20/amber20_src/cmake/FixCondaShebang/FixCondaShebang.cmake:26 (file):
> file failed to open for reading (No such file or directory):
>
> /home/sturvo/Amber/bin/Amber20/amber20//bin/amber.pip
>
> I have found the file and can't open it (broken). I tried creating a new file and restarting the installation, but it is rewritten thus broken again.
>
> I would like to ask for some help with this problem.
>
> Best wishes,
> Álex Kálmán Balogh
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 21 2021 - 08:00:03 PDT
