V1 TESTING FILES

Total energy, geometry optimization, DFT+U, spin....

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zinar
Posts: 5
Joined: Wed Feb 20, 2013 8:15 pm

V1 TESTING FILES

Post by zinar » Wed Feb 20, 2013 8:26 pm

Hi all
i am new user on Abinit ..

please how i can test the input files in Abinit6.10.2/tests/v1
i tried to test it and i copied one of them and putted in the directory of work and i runed
abinit<t1x.files>& log. I got error an INQUIRED ....
so any one can tell me how i do this
thank you all

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Alain_Jacques
Posts: 279
Joined: Sat Aug 15, 2009 9:34 pm
Location: Université catholique de Louvain - Belgium

Re: V1 TESTING FILES

Post by Alain_Jacques » Fri Feb 22, 2013 11:40 am

Hi Zinar,

Assuming that you have compiled your own abinit, go to the build directory (where you invoked configure, make, ...), cd to the tests subdirectory and run make tests_v1. At the end, check the results with a more */*/result

Kind regards,

Alain

zinar
Posts: 5
Joined: Wed Feb 20, 2013 8:15 pm

Re: V1 TESTING FILES

Post by zinar » Fri Feb 22, 2013 4:48 pm

good Thank you so much Alain..

zinar
Posts: 5
Joined: Wed Feb 20, 2013 8:15 pm

warning

Post by zinar » Fri Mar 29, 2013 5:16 pm

Hi all,


when i am runing my abinit 7.0.5 all time i got this warning

getng.F90:199:WARNING
The second and third dimension of the FFT grid, 0 0 were imposed to be multiple of the number of processors for the FFT, 1
For input ecut= 1.000000E+01 best grid ngfft= 30 30 30
max ecut= 1.110330E+01

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