|Are you sure you delete everthing well ?|
|
https://ambermd.org/GetAmber.php#ambertools|
cd amber20_src
./update_amber --upgrade
cd build
./clean_build
./run_cmake
make install
That's all it should work
If you want or use conda
https://anaconda.org/conda-forge/ambertools
|conda install -c conda-forge ambertools
|
|I have both install with ubuntu 20.4.02 like yours
|
|But I avoid miniconda, after installing ubuntu I installed all python3
all dev sagemath jupyter it's about 8 Go of python3 (but you don't have
to do it) I do it because I use lot of libs
|
||
On 21/06/2021 16:54, Balogh Álex Kálmán wrote:
> 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
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Received on Mon Jun 21 2021 - 09:00:02 PDT
