Differences

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--- computing [2025/12/16 12:38] – 130.190.59.34
+++ computing [2025/12/19 15:34] (current) – admin
@@ Line 28: / Line 28: @@
 #### QuantumESPRESSO
-To run QE at the moment, use:
+First you need to set up the DIAMOND GUIX channel by following the instructions here: https://gricad-gitlab.univ-grenoble-alpes.fr/diamond/guix/guix-channel
+Next, you can install QE using:
 ```bash
@@ Line 59: / Line 61: @@
 mpirun -np 192 pw.x -npool 8 -in < pwscf.in > pwscf.out
 ```
+### Shared conda environments
+You can get access to the natively installed `conda` using:
+```
+source /applis/environments/conda.sh
+```
+then we store shared environments in `/bettik/uhrinm/camml/envs`, so for example you can access the shared `allegro` environment by using:
+```
+conda activate /bettik/uhrinm/camml/envs/allegro
+```
+be careful when `pip install`ing to make sure whatever you install does not conflict with what is already there, or you make break the environment for everyone else.
 ## National resources
@@ Line 108: / Line 128: @@
 Further details are [here](http://www.idris.fr/eng/jean-zay/gpu/jean-zay-gpu-python-env-eng.html).
-To list the available miniforge versions type ''module avail miniforge'' and load miniforge, with a command like
+To list the available miniforge versions, type ''module avail miniforge'', and load miniforge with a command like
 ```bash
@@ Line 156: / Line 176: @@
 ```
-Remember that, every time you access to IDRIS, you will need to load ''miniforge'', as the ''conda'' command does not exist by default; after that, you'll be able to ''conda activate <env_name>''. Please, notice that you cannot use the ''Remote-SSH'' feature from VSCode on IDRIS (and, in general, on Jean-Zay) because of some security restrictions; however, you can use [JupyterHub](http://www.idris.fr/eng/jean-zay/pre-post/jean-zay-jupyterhub-eng.html).
+Remember that, every time you access to IDRIS, you will need to load ''miniforge'', as the ''conda'' command does not exist by default; after that, you'll be able to ''conda activate <env_name>''. Please, notice that you cannot use the ''Remote-SSH'' feature from VSCode on IDRIS because of some security restrictions; however, you can use [JupyterHub](http://www.idris.fr/eng/jean-zay/pre-post/jean-zay-jupyterhub-eng.html).