[ase-users] ImportError: No module named build

[Jens Jørgen Mortensen]

Den 20-02-2018 kl. 23:43 skrev Sean Dix:
> That was the issue. Thank you!

No problem!

>
> *Sean T. Dix*
> Ph.D. Candidate - Linic Lab
> NSF Graduate Research Fellow
> Department of Chemical Engineering
> University of Michigan, Ann Arbor
>
>
>
>> On Feb 20, 2018, at 2:28 AM, Jens Jørgen Mortensen <jjmo at dtu.dk 
>> <mailto:jjmo at dtu.dk>> wrote:
>>
>> Den 19-02-2018 kl. 22:16 skrev Sean Dix via ase-users:
>>> I am having an error running ASE using the SLURM job manager utility.
>>>
>>> when running I get this error:
>>> Traceback (most recent call last):
>>> File "/var/spool/slurmd/job18115/slurm_script", line 15, in <module>
>>> from ase.build import fcc111, add_adsorbate, molecule
>>> ImportError: No module named build
>>>
>>> I have three other "from ase..” lines that work without failing. 
>>> This error only occurs when I include the #SBATCH information and 
>>> submit the job to the scheduler. I can run the job on the head node 
>>> using "python pureptoh.py" and it builds the POSCAR fine. Please let 
>>> me know if more information is needed.
>>
>> Maybe the compute nodes are picking up an older version of ASE that 
>> doesn't have the ase.build module (added in 3.11).  You can add a 
>> line like this: "import ase; print(ase)" to your script to figure out 
>> where ASE comes from.
>>
>> Jens Jørgen
>>
>>>
>>> system info:
>>> platform Linux-2.6.32-696.20.1.el6.x86_64-x86_64-with-centos-6.9-Final
>>> python-3.6.3 /usr/local/bin/python3.6
>>> ase-3.15.0 /usr/local/lib/python3.6/site-packages/ase/
>>> numpy-1.14.0 /usr/local/lib/python3.6/site-packages/numpy/
>>> scipy-1.0.0 /usr/local/lib/python3.6/site-packages/scipy/
>>>
>>> beginning of script:
>>> #!/usr/bin/env python
>>> #SBATCH -J pureptoh
>>> #SBATCH --time=1000:00:00
>>> #SBATCH -N 1
>>> #SBATCH --ntasks-per-node 20
>>> #SBATCH -o out.o%j
>>> #SBATCH -e err.e%j
>>> #SBATCH --export=ALL
>>> #SBATCH --mail-type=ALL
>>> #SBATCH --mail-user=seantdix at gmail.com 
>>> <mailto:mail-user=seantdix at gmail.com>
>>>
>>> from ase import Atoms, Atom
>>> from ase.calculators.vasp import Vasp
>>> from ase.constraints import FixAtoms
>>> from ase.build import fcc111, add_adsorbate, molecule
>>> fromase.io <http://ase.io/>import write, read
>>>
>>>
>>>
>>> *Sean T. Dix*
>>> Ph.D. Candidate - Linic Lab
>>> NSF Graduate Research Fellow
>>> Department of Chemical Engineering
>>> University of Michigan, Ann Arbor
>>>
>>>
>>>
>>>
>>>
>>> _______________________________________________
>>> ase-users mailing list
>>> ase-users at listserv.fysik.dtu.dk
>>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>
>>
>

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