executable file

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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roshanibhagat
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executable file

#1 Post by roshanibhagat » Thu Jun 04, 2009 9:25 am

I am a new user. I am trying to run an example. I wanted to know how to get an executable file?
Last edited by roshanibhagat on Thu Jun 04, 2009 9:25 am, edited 1 time in total.

forsdan
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executable file

#2 Post by forsdan » Thu Jun 04, 2009 6:18 pm

In order to obtain an executable program you'll need to compile the source code. To do this you'll need your favorite Fortran compiler and at least a installed BLAS library. Choose one of the makefiles supplied with the source code and modify it after your needs, i.e. supply paths to LAPACK, FFT, BLAS, choose serial or parallel settings etc. LAPACK and FFT routines are included in the release but if you prefer to use other perhaps more optimized libraries you may specify the paths to them instead (provided that they are installed on your system), Basically just follow the instructions in the manual

http://cms.mpi.univie.ac.at/vasp/vasp/node14.html

Best regards
/Dan Fors

<span class='smallblacktext'>[ Edited Thu Jun 04 2009, 08:27PM ]</span>
Last edited by forsdan on Thu Jun 04, 2009 6:18 pm, edited 1 time in total.

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