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doku:vasp-vsc2 [2014/10/02 13:48] – [VASP + ELPA] irdoku:vasp-vsc2 [2017/09/08 09:44] – ir
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 ====== VASP ====== ====== VASP ======
 +
  
 see also see also
   * [[vasp-benchmarks|VASP benchmarks]]   * [[vasp-benchmarks|VASP benchmarks]]
 +===== VSC-2 =====
 ==== MPI SELECTOR ==== ==== MPI SELECTOR ====
 In order to successfully compile and run VASP use Intel MPI 4.0.1.007, which gives best performance for VASP: In order to successfully compile and run VASP use Intel MPI 4.0.1.007, which gives best performance for VASP:
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 An optimized executable, which scales very nicely on VSC-2 (scaLAPACK has been replaced with  [[http://elpa.rzg.mpg.de/software|ELPA]] (Eigenvalue soLvers for Petaflop Applications)), is accessible for VASP users in /opt/sw/vasp.  An optimized executable, which scales very nicely on VSC-2 (scaLAPACK has been replaced with  [[http://elpa.rzg.mpg.de/software|ELPA]] (Eigenvalue soLvers for Petaflop Applications)), is accessible for VASP users in /opt/sw/vasp. 
  
-Please   +Please send an email to {{:doku:contact_vsc-red_margin.png?130|}} in order 
-**[[doku:contact|contact system administration]]**+
  to be added to the corresponding user group.  to be added to the corresponding user group.
- 
-sdfjlk {{:doku:contact_vsc-red_scaled.png?200|}} sdafjkl 
- 
-asf {{:doku:contact_vsc-red_crop_scaled.png?200|}} sdf  
- 
  
 ELPA devolopers highly appreciate citing their work when using the optimized library, see the README file of the library below: ELPA devolopers highly appreciate citing their work when using the optimized library, see the README file of the library below:
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   make appropriate reference to that as well, once it appears.   make appropriate reference to that as well, once it appears.
 </code> </code>
- 
 ==== Compiling ==== ==== Compiling ====
 With the above mpi-selector setting you should set the following PATHS to libraries in your makefile With the above mpi-selector setting you should set the following PATHS to libraries in your makefile
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 </code> </code>
-