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doku:software [2017/09/08 10:26] – [Recommendations] ir | doku:software [2017/09/08 10:28] – [Documentation] ir | ||
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* [[mpi-helium-vsc2|MPI-Helium]] | * [[mpi-helium-vsc2|MPI-Helium]] | ||
*[[doku: | *[[doku: | ||
+ | *[[nwchem-vsc2|NWChem]] | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
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* [[doku: | * [[doku: | ||
- | ==== Recommendations | + | === Recommendations === |
* [[sequential-codes|Single core jobs]] | * [[sequential-codes|Single core jobs]] | ||
- | * [[large]] jobs with more than 1024 cores | + | * [[large|large |
- | * [[doku: | + | * [[doku: |
- | * [[nwchem-vsc2|NWChem]] | + | |
* user defined [[prolog|prolog and epilog]] scripts | * user defined [[prolog|prolog and epilog]] scripts |