[DFTB-Plus-User] (no subject)

Krishna Mohan G.P. gpkmohan at yahoo.com
Wed Sep 10 11:46:23 CEST 2014


Hi Veerpal

As Jan said before, please consult a Linux guru for your installation relate issues.

By the way you use Bash/C shell? [ export command will work only for BASH]

Actually you should look at the compatibility of your current Python version w.r.t. numpy version etc. in addition to the Linux shell commands for 'source' etc. [ for ex. C Shell use different set up compared to BASH shell]

If you are not very experienced on the above things please ask your admin for this job. If administrator made this installation it will be available system wide and it will be benefited by many others too...

Goodluck

Km


________________________________
 From: Jan Knaup <janknaup at gmail.com>
To: User list for DFTB+ related questions <dftb-plus-user at mailman.zfn.uni-bremen.de> 
Sent: Wednesday, September 10, 2014 2:31 PM
Subject: Re: [DFTB-Plus-User] (no subject)
 


Dear Veerpal,
Your problem is not related to dftb+, but to your python installation. You need to install the numpy package.
Depending on the Linux distribution you are using, the commands needed to install it vary, so you should consult whoever is responsible for your computers. On Ubuntu typing
sudo apt-get install python-numpy


On a console should be what you need.
Best,
Jan
Am 10.09.2014 06:31 schrieb "veerpal kaur dhiman" <v.veerpal.h at gmail.com>:

Dear Sir ,
>
>Same error occured when i first typed python 
>
>gagan at gagan-desktop:~$ python
>Python 2.7.5 (default, May 22 2014, 12:49:45) 
>[GCC 4.4.3] on linux2
>Type "help", "copyright", "credits" or "license" for more information.
>>>> 
>
>and then import numpy as np 
>
>gagan at gagan-desktop:~$ python
>Python 2.7.5 (default, May 22 2014, 12:49:45) 
>[GCC 4.4.3] on linux2
>Type "help", "copyright", "credits" or "license" for more information.
>>>> import numpy as np
>Traceback (most recent call last):
>  File "<stdin>", line 1, in <module>
>ImportError: No module named numpy
>>>> 
>
>
>
>
>
>
>
>On Tue, Sep 9, 2014 at 9:21 PM, Ben Hourahine <benjamin.hourahine at strath.ac.uk> wrote:
>
>Dear Veerpal,
>>
>>what happens if you type
>>
>>python
>>import numpy as np
>>
>>?
>>
>>Regards
>>
>>Ben
>>
>>
>>On 09/09/14 09:14, veerpal kaur dhiman wrote:
>>> Dear sir,
>>>
>>> I am trying to plot density of states of Tio2 by using the input as given
>>> in dftb+ recipes. But i am getting the error (from dptools/bin/dp_dos) as
>>> given below :
>>>
>>> Traceback (most recent call last):
>>>   File "/home/gagan/dptools-0.1p3/bin/dp_dos", line 8, in <module>
>>>     import numpy as np
>>> ImportError: No module named numpy
>>>
>>>
>>> But when i used the "dp_dos" file by putting "#" on line "import numpy as
>>> np" (means by removing the line "import numpy as np") then i got the error:
>>>
>>> Traceback (most recent call last):
>>>   File "/home/gagan/dptools-0.1p3/bin/dp_dos", line 9, in <module>
>>>     from dptools.bandout import BandOut
>>> ImportError: No module named dptools.bandout
>>>
>>> I have installed numpy in my system . Dptools are also installed. I have
>>> also set the PYTHONPATH variable by giving the commands  as given in README
>>> file of Dptools as shown below :
>>>
>>> export PATH=$PATH:/home/gagan/dptools-0.1p3/bin
>>>   export
>>> PYTHONPATH=$PYTHONPATH:/home/gagan/dptools-0.1p3/lib/python2,7/site-packages
>>>
>>> I am trying to remove this error from two weeks but nothing happened. I am
>>> new to linux and dftb+. No one in my department is using dftb+ so no one
>>> knows the solution of this error. Please tell me any solution of this
>>> problem.
>>>
>>> I will be very thankful to you.
>>>
>>> Veerpal Kaur,
>>> Physics Department,
>>> Panjab University,
>>> Chandigarh.
>>>
>>>
>>>
>>> _______________________________________________
>>> DFTB-Plus-User mailing list
>>> DFTB-Plus-User at mailman.zfn.uni-bremen.de
>>> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>>
>>
>>--
>>      Dr. B. Hourahine, SUPA, Department of Physics,
>>    University of Strathclyde, John Anderson Building,
>>            107 Rottenrow, Glasgow G4 0NG, UK.
>>    +44 141 548 2325, benjamin.hourahine at strath.ac.uk
>>
>>2013/4 THE Awards Entrepreneurial University of the Year
>>      2012/13 THE Awards UK University of the Year
>>
>>   The University of Strathclyde is a charitable body,
>>        registered in Scotland, number SC015263
>>_______________________________________________
>>DFTB-Plus-User mailing list
>>DFTB-Plus-User at mailman.zfn.uni-bremen.de
>>https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>
>
>_______________________________________________
>DFTB-Plus-User mailing list
>DFTB-Plus-User at mailman.zfn.uni-bremen.de
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>
>

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