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epd created page: ABINIT authored by Doak, Peter W.'s avatar Doak, Peter W.
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Cades.md
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......@@ -65,6 +65,8 @@ Run your jobs from
```
/lustre/or-hydra/cades-cnms/you
```
If your directory is missing ask @nathangrod or @michael.galloway in #general for it to be created.
The old lustre file system *pfs1* is full and very laggy from being too full. Migrate you old data soon.
**Use a pbs job or an interactive job, do not use the login nodes.**
......@@ -74,11 +76,11 @@ These are the codes that have been installed so far. You can request additional
Instructions for codes:
Please read these, you can waste a great deal of resources if you do not understand how to run even familiar codes optimally in this hardware environment.
[VASP](VASP) -- Be Careful with this one: The vanilla optimized version can experience matrix issues. If you have them try the 5.4.1.2 build or the debug build. This is a known issue with high optimizations and the intel compiler.
[**VASP**](VASP) -- Be Careful with this one: The vanilla optimized version can experience matrix issues. If you have them try the 5.4.1.2 build or the debug build. This is a known issue with high optimizations and the intel compiler.
[ESPRESSO](ESPRESSO) -- Performs well on cades, consider it as an alternative to VASP
[**ESPRESSO**](ESPRESSO) -- Performs well on cades, consider it as an alternative to VASP
[ABINIT](ABINIT) -- New build use caution
[**ABINIT**](ABINIT) -- New build use caution
===
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