Differences
This shows you the differences between two versions of the page.
Both sides previous revision Previous revision Next revision | Previous revision Next revisionBoth sides next revision | ||
doku:software [2017/09/08 09:38] – ir | doku:software [2020/04/23 08:36] – [VSC-2] ir | ||
---|---|---|---|
Line 6: | Line 6: | ||
the user has to be < | the user has to be < | ||
Please, __**[[doku: | Please, __**[[doku: | ||
- | ==== VSC-2 ==== | ||
- | |||
- | When logged in on VSC-2, currently installed **software** and available **libraries** can be listed by | ||
- | < | ||
- | [username@l21 ~]$ ls /opt/ # and | ||
- | [username@l21 ~]$ ls /opt/sw/ | ||
- | </ | ||
==== VSC-3 ==== | ==== VSC-3 ==== | ||
Line 39: | Line 32: | ||
*[[doku: | *[[doku: | ||
*[[doku: | *[[doku: | ||
- | *[[doku: | + | *[[doku: |
*[[doku: | *[[doku: | ||
*[[doku: | *[[doku: | ||
*[[doku: | *[[doku: | ||
*[[doku: | *[[doku: | ||
+ | *[[fft|fft libraries]] | ||
* [[http:// | * [[http:// | ||
* [[http:// | * [[http:// | ||
Line 52: | Line 46: | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
+ | * [[mpi-helium-vsc2|MPI-Helium]] | ||
*[[doku: | *[[doku: | ||
+ | *[[nwchem-vsc2|NWChem]] | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
- | *[[doku: | + | *[[doku: |
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
Line 61: | Line 57: | ||
* [[http:// | * [[http:// | ||
*[[doku: | *[[doku: | ||
- | * [[doku: | + | * [[doku: |
* [[wien2k-vsc2|WIEN2k]] | * [[wien2k-vsc2|WIEN2k]] | ||
- | |||
- | ====== Recommendations ====== | ||
- | |||
- | ==== Recommendations for various codes ==== | ||
- | |||
- | * [[doku: | ||
- | * [[mpi-helium-vsc2|MPI-Helium]] | ||
* [[wrf-vsc2|WRFV3]] | * [[wrf-vsc2|WRFV3]] | ||
- | * [[sequential-codes|Sequential codes]] | ||
- | |||
- | ==== Recommendations for advanced users ==== | ||
- | |||
- | * [[fft]] libraries | ||
- | * [[large]] jobs with more than 1024 cores | ||
- | * [[memory]] intensive jobs requiring more than 2 GB per core | ||
- | * [[ScaLAPACK]] compile options | ||
- | * [[nwchem-vsc2|NWChem]] | ||
- | * [[blas|Linking to BLAS Libraries]] | ||
- | * user defined [[prolog|prolog and epilog]] scripts | ||