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doku:vasp-vsc2 [2014/10/02 14:00] – [VASP + ELPA] ir | doku:vasp-vsc2 [2017/09/08 09:44] – ir | ||
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====== VASP ====== | ====== VASP ====== | ||
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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:// | An optimized executable, which scales very nicely on VSC-2 (scaLAPACK has been replaced with [[http:// | ||
- | Please send an email to {{: | + | Please send an email to {{: |
to be added to the corresponding user group. | to be added to the corresponding user group. | ||
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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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</ | </ | ||
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