22 Commits

Author SHA1 Message Date
1882fbf76b add latest new section to frontpage
We use a custom override template (jinja) to generate a suitable list of
new items.

Also added first text for announcing our new user docs
2026-01-09 10:57:58 +01:00
8acef7694c merge and move support pages
this are now under the /support path, meaning that this is unified for
all clusters.
2026-01-07 17:15:56 +01:00
860bc998ec fix issue with the news page 2026-01-07 16:08:38 +01:00
d767a2e343 minor fixes
* added back the HPCE logo to landing page
* activated the sticky tabs navigation feature (so navigation bar stays
  visible)
* added edit buttons to content (so users can _maybe_ help us in keeping
  our docs up to date)
2026-01-07 15:45:05 +01:00
3afcd052f4 update main Merlin7 page with production status, remove dead links 2026-01-07 11:35:23 +01:00
5f759a629a initial formatting changes complete 2026-01-06 16:40:15 +01:00
173f822230 fixed all links now 2025-12-16 13:55:15 +01:00
d321849b3c ensure headers have permalinks usable 2025-12-16 11:28:56 +01:00
581b695839 further fixes 2025-12-16 11:21:18 +01:00
01ac18b3f4 vibe #3 2025-12-11 14:21:49 +01:00
84f9846a0c further vibing #2 2025-12-11 11:04:12 +01:00
f09acd4fc7 add missing pages 2025-12-11 10:40:05 +01:00
4a43d69a1a vibed changes #1 2025-12-11 10:32:15 +01:00
e64c265280 add all files to nav 2025-12-10 13:59:14 +01:00
26c2c3caa4 add software support m6 docs 2025-12-04 14:45:53 +01:00
b32bc8a8a1 add merlin6 JB docs 2025-12-03 15:26:52 +01:00
25b9feeb91 refactored slurm general docs merlin6 2025-12-01 13:40:40 +01:00
91f9d91edd give the userdoc its own color scheme
we use the Materials default one
2025-12-01 12:23:17 +01:00
49f589031f update merlin6 nomachine docs 2025-12-01 09:03:28 +01:00
d9a005f44a add merlin6 quick start 2025-11-27 10:14:06 +01:00
83406ceb7d refactor CSCS and Meg content 2025-11-27 09:40:34 +01:00
10eae1319b first stab at mkdocs migration 2025-11-26 17:28:07 +01:00
20 changed files with 16520 additions and 102 deletions

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@@ -1,30 +0,0 @@
---
name: Build and deploy documentation
on:
push:
branches:
- master
workflow_dispatch:
jobs:
build-and-deploy-docs:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Configure git credentials
run: |
git config --global user.name "Gitea Actions"
git config --global user.email "actions@gitea.local"
- uses: actions/setup-python@v5
with:
python-version: "3"
- name: Install mkdocs-material
run: |
apt-get update
apt-get install -y pngquant
pip install \
mkdocs-material[recommended]=="9.7.*" \
mkdocs-material[git]=="9.7.*" \
mkdocs-material[imaging]=="9.7.*" \
mkdocs-glightbox=='0.5.*'
- name: Deploy documentation
run: mkdocs gh-deploy --force -b gitea-pages

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@@ -0,0 +1,28 @@
# This is your sidebar TOC. The sidebar code loops through sections here and provides the appropriate formatting.
entries:
- product: HPCE
levels: one
folders:
- title: Services
output: web
folderitems:
- title: Overview
url: /index.html
output: web
- title: News
url: /news.html
output: web
- title: Merlin7 HPC Cluster
url: /merlin7/introduction.html
output: web
- title: Merlin6 HPC Cluster
url: /merlin6/introduction.html
output: web
- title: MEG HPC Cluster
url: /meg/introduction.html
output: web
- title: PSI HPC@CSCS
url: /CSCS/index.html
output: web

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@@ -0,0 +1,125 @@
# Follow the pattern here for the URLs -- no slash at the beginning, and include the .html. The link here is rendered exactly as is in the Markdown references.
entries:
- product: Merlin
version: 6
folders:
- title: Quick Start Guide
# URLs for top-level folders are optional. If omitted it is a bit easier to toggle the accordion.
#url: /merlin6/introduction.html
folderitems:
- title: Introduction
url: /merlin6/introduction.html
- title: Code Of Conduct
url: /merlin6/code-of-conduct.html
- title: Requesting Merlin Access
url: /merlin6/request-account.html
- title: Requesting Merlin Projects
url: /merlin6/request-project.html
- title: Accessing the Interactive Nodes
url: /merlin6/interactive.html
- title: Accessing the Slurm Clusters
url: /merlin6/slurm-access.html
- title: How To Use Merlin
folderitems:
- title: Accessing from a Linux client
url: /merlin6/connect-from-linux.html
- title: Accessing from a Windows client
url: /merlin6/connect-from-windows.html
- title: Accessing from a MacOS client
url: /merlin6/connect-from-macos.html
- title: Merlin6 Storage
url: /merlin6/storage.html
- title: Transferring Data
url: /merlin6/transfer-data.html
- title: Archive & PSI Data Catalog
url: /merlin6/archive.html
- title: Remote Desktop Access
url: /merlin6/nomachine.html
- title: Configuring SSH Keys
url: /merlin6/ssh-keys.html
- title: Kerberos and AFS authentication
url: /merlin6/kerberos.html
- title: Software repository - PModules
url: /merlin6/using-modules.html
- title: Slurm General Documentation
folderitems:
- title: Slurm Basic Commands
url: /merlin6/slurm-basics.html
- title: Running Slurm Batch Scripts
url: /merlin6/running-jobs.html
- title: Running Slurm Interactive Jobs
url: /merlin6/interactive-jobs.html
- title: Slurm Batch Script Examples
url: /merlin6/slurm-examples.html
- title: Slurm Monitoring
url: /merlin6/monitoring.html
- title: Merlin6 CPU Slurm cluster
folderitems:
- title: Using Slurm - merlin6
url: /merlin6/slurm-configuration.html
- title: HW/SW description
url: /merlin6/hardware-and-software.html
- title: Merlin6 GPU Slurm cluster
folderitems:
- title: Using Slurm - gmerlin6
url: /gmerlin6/slurm-configuration.html
- title: HW/SW description
url: /gmerlin6/hardware-and-software.html
- title: Merlin5 CPU Slurm cluster
folderitems:
- title: Using Slurm - merlin5
url: /merlin5/slurm-configuration.html
- title: HW/SW description
url: /merlin5/hardware-and-software.html
- title: Jupyterhub
folderitems:
- title: Jupyterhub service
url: /merlin6/jupyterhub.html
- title: Jupyter examples on merlin6
url: /merlin6/jupyter-examples.html
- title: Jupytext - efficient editing
url: /merlin6/jupytext.html
- title: Jupyter Extensions
url: /merlin6/jupyter-extensions.html
- title: Jupyterlab
url: /merlin6/jupyterlab.html
- title: Jupyterhub Troubleshooting
url: /merlin6/jupyterhub-trouble.html
- title: Software Support
folderitems:
- title: ANSYS
url: /merlin6/ansys.html
- title: ANSYS RSM
url: /merlin6/ansys-rsm.html
- title: ANSYS/CFX
url: /merlin6/ansys-cfx.html
- title: ANSYS/Fluent
url: /merlin6/ansys-fluent.html
- title: ANSYS/MAPDL
url: /merlin6/ansys-mapdl.html
- title: ANSYS/HFSS
url: /merlin6/ansys-hfss.html
- title: GOTHIC
url: /merlin6/gothic.html
- title: merlin_rmount
url: /merlin6/merlin-rmount.html
- title: IntelMPI
url: /merlin6/impi.html
- title: OpenMPI
url: /merlin6/openmpi.html
- title: ParaView
url: /merlin6/paraview.html
- title: Python
url: /merlin6/python.html
- title: Support
folderitems:
- title: FAQ
url: /merlin6/faq.html
- title: Known Problems
url: /merlin6/known-problems.html
- title: Troubleshooting
url: /merlin6/troubleshooting.html
- title: Contact
url: /merlin6/contact.html

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@@ -0,0 +1,93 @@
# Follow the pattern here for the URLs -- no slash at the beginning, and include the .html. The link here is rendered exactly as is in the Markdown references.
entries:
- product: Merlin
version: 7
folders:
- title: Quick Start Guide
folderitems:
- title: Introduction
url: /merlin7/introduction.html
- title: Code Of Conduct
url: /merlin7/code-of-conduct.html
- title: Requesting Merlin7 Access
url: /merlin7/request-account.html
# - title: Requesting Projects
# url: /merlin7/request-project.html
- title: Accessing the Interactive Login Nodes
url: /merlin7/interactive.html
- title: Accessing the Slurm Clusters
url: /merlin7/slurm-access.html
- title: Software Repositories
url: /merlin7/software-repositories.html
- title: How To Use Merlin7
folderitems:
- title: Accessing from a Linux client
url: /merlin7/connect-from-linux.html
- title: Accessing from a Windows client
url: /merlin7/connect-from-windows.html
- title: Accessing from a MacOS client
url: /merlin7/connect-from-macos.html
- title: Merlin7 Storage
url: /merlin7/storage.html
- title: Transferring Data
url: /merlin7/transfer-data.html
# - title: Archive & PSI Data Catalog
# url: /merlin7/archive.html
- title: Remote Desktop Access
url: /merlin7/nomachine.html
- title: Configuring SSH Keys
url: /merlin7/ssh-keys.html
- title: Kerberos and AFS authentication
url: /merlin7/kerberos.html
- title: Software Repositories
url: /merlin7/software-repositories.html
- title: General Tools
url: /merlin7/tools.html
- title: Slurm General Documentation
folderitems:
- title: Merlin7 Infrastructure
url: /merlin7/merlin7-configuration.html
- title: Slurm Configuration
url: /merlin7/slurm-configuration.html
- title: Running Slurm Interactive Jobs
url: /merlin7/interactive-jobs.html
- title: Slurm Batch Script Examples
url: /merlin7/slurm-examples.html
- title: Jupyterhub
folderitems:
- title: Jupyterhub service
url: /merlin7/jupyterhub.html
- title: Software Support
folderitems:
- title: PSI Modules
url: /merlin7/pmodules.html
- title: Spack Modules
url: /merlin7/spack.html
- title: Cray Modules
url: /merlin7/cray-module-env.html
- title: OpenMPI
url: /merlin7/openmpi.html
- title: ANSYS
url: /merlin7/ansys.html
- title: ANSYS RSM
url: /merlin7/ansys-rsm.html
- title: GROMACS
url: /merlin7/gromacs.html
- title: CP2K
url: /merlin7/cp2k.html
- title: LAMMPS
url: /merlin7/lammps.html
- title: Quantum ESPRESSO
url: /merlin7/quantum-espresso.html
- title: OPAL-X
url: /merlin7/opal-x.html
- title: IPPL
url: /merlin7/ippl.html
- title: Support
folderitems:
- title: Merlin6 to Merlin7 Migration Guide
url: /merlin7/migrating.html
- title: Contact
url: /merlin7/contact.html

View File

@@ -32,9 +32,7 @@ oversubscription, will be arbitrated by a panel within CSD.
### Instructions for filling out the 2026 survey
* We have a budget of 100 kCHF for 2026, which translates to 435'000 multicore node hours or 35'600 node hours on the GPU Grace Hopper nodes.
* multicore projects: The minimum allocation is 10'000 node hours, an average project allocation amounts to 30'000 node hours
* GPU projects: The minimum allocation is 800 node hours, an average project allocation is 2000 node hours.
* We have a budget of 100 kCHF for 2026, which translates to 435'000 multicore node hours or 35'600 node hours on the GPU Grace Hopper nodes. The minimum allocation is 10'000 node hours for multicore projects, an average project allocation would amount to 30'000 node hours
* You need to specify the total resource request for your project in node hours, and how you would like to split the resources over the 4 quarters. For the allocations per quarter year, please enter the number in percent (e.g. 25%, 25%, 25%, 25%). If you indicate nothing, a 25% per quarter will be assumed.
* We currently have a total of 65 TB of storage for all projects. Additional storage
can be obtained, but large storage assignments are not in scope for these projects.

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@@ -7,8 +7,8 @@ template: "frontpage.html"
# HPCE User Documentation
![HPCE group](images/hpce_logo_full.png#only-light){ width="250px" }
![HPCE group](images/hpce_logo_full_dark.png#only-dark){ width="250px" }
![HPCE group](images/hpce_logo_full.png#only-light){ width="350px" }
![HPCE group](images/hpce_logo_full_dark.png#only-dark){ width="350px" }
/// caption
///

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@@ -1,8 +1,7 @@
# Introduction
!!! failure "Deprecated"
Merlin6 is no longer accessible for new users! Please have a look at
[Merlin 7](../merlin7/01-Quick-Start-Guide/introduction.md) instead.
!!! note
Merlin6 is no longer accessible for new users! Please have a look at [Merlin 7](../merlin7/01-Quick-Start-Guide/introduction.md) instead.
## Slurm clusters
@@ -11,8 +10,7 @@ Comprised the **`merlin6`** CPU cluster and the
cluster (formally called [**`merlin5`**](../merlin5/cluster-introduction.md) is
kept active with best effort support.
From July 2019, **`merlin6`** becomes the **default Slurm cluster** and any job
submitted from the login node will be submitted to that cluster if not.
From July 2019, **`merlin6`** becomes the **default Slurm cluster** and any job submitted from the login node will be submitted to that cluster if not.
* Users can keep submitting to the old *`merlin5`* computing nodes by using the option ``--cluster=merlin5``.
* Users submitting to the **`gmerlin6`** GPU cluster need to specify the option ``--cluster=gmerlin6``.
@@ -20,6 +18,6 @@ submitted from the login node will be submitted to that cluster if not.
### Slurm 'merlin6'
**CPU nodes** are configured in a **Slurm** cluster, called **`merlin6`**, and
this is the ***default Slurm cluster***. Hence, by default, if no Slurm cluster
is specified (with the `--cluster` option), this will be the cluster to which
the jobs will be sent.
this is the ***default Slurm cluster***. Hence, by default, if no Slurm cluster is
specified (with the `--cluster` option), this will be the cluster to which the jobs
will be sent.

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@@ -93,10 +93,7 @@ be tracked. In theory any (or all available projects) can be tracked, but due to
UNIX and Lustre permissions, accessing quotas information for a project you're not
a member of **is not possible**.
!!! tip "Updating the project config"
If you are added/removed from a project, you can update this config file by
calling `merlin_quotas genconf --all-projects --force`. The
`--all-projects` will fully check your possible membership to all projects,
and the `--force` will overwrite your existing config file. You can also
edit the file by hand (*not recommended*).
If you are added/removed from a project, you can update this config file by
calling `merlin_quotas genconf --force` (notice the `--force`, which will overwrite
your existing config file) or by editing the file by hand (*not recommended*).

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@@ -11,7 +11,6 @@ It is primarily designed for biochemical molecules like proteins, lipids and nuc
GROMACS is a joint effort, with contributions from developers around the world: users agree to acknowledge use of GROMACS in any reports or publications of results obtained with the Software (see GROMACS Homepage for details).
## How to run on Merlin7
## 2025.2
### CPU nodes
```bash
module use Spack unstable
@@ -27,22 +26,6 @@ module load gcc/12.3 openmpi/5.0.7-3vzj-A100-gpu gromacs/2025.2-vbj4-A100-gpu-om
module use Spack unstable
module load gcc/12.3 openmpi/5.0.7-blxc-GH200-gpu gromacs/2025.2-cjnq-GH200-gpu-omp
```
## 2025.3
### CPU nodes
```bash
module use Spack unstable
module load gcc/12.3 openmpi/5.0.9-n4yf-A100-gpu gromacs/2025.3-6ken-omp
```
### A100 nodes
```bash
module use Spack unstable
module load gcc/12.3 openmpi/5.0.9-xqhy-A100-gpu gromacs/2025.3-ohlj-A100-gpu-omp
```
### GH nodes
```bash
module use Spack unstable
module load gcc/12.3 openmpi/5.0.9-inxi-GH200-gpu gromacs/2025.3-yqlu-GH200-gpu-omp
```
### SBATCH CPU, 4 MPI ranks, 16 OMP threads
```bash

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@@ -13,7 +13,8 @@ GNU GPLv3
[![Pipeline](https://gitea.psi.ch/HPCE/spack-psi/actions/workflows/ippl_gpu_merlin7.yml/badge.svg?branch=main)](https://gitea.psi.ch/HPCE/spack-psi)
```bash
module use Spack unstable
module load gcc/13.2.0 openmpi/5.0.7-dnpr-A100-gpu boost/1.82.0-lgrt fftw/3.3.10.6-zv2b-omp googletest/1.14.0-msmu h5hut/2.0.0rc7-zy7s openblas/0.3.29-zkwb cmake/3.31.6-ufy7
module load gcc/13.2.0 openmpi/4.1.6-57rc-A100-gpu
module load boost/1.82.0-e7gp fftw/3.3.10 gnutls/3.8.3 googletest/1.14.0 gsl/2.8 h5hut/2.0.0rc7 openblas/0.3.26-omp cmake/3.31.6-oe7u
cd <path to IPPL source directory>
mkdir build_gpu

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@@ -33,7 +33,7 @@ module purge
module use Spack unstable
module load gcc/13.2.0 openmpi/5.0.7-dnpr-A100-gpu
module load boost/1.82.0-lgrt fftw/3.3.10.6-zv2b-omp gnutls/3.8.9-mcdr googletest/1.14.0-msmu gsl/2.7.1-hxwy h5hut/2.0.0rc7-zy7s openblas/0.3.29-zkwb cmake/3.31.6-oe7u
git clone https://github.com/OPALX-project/OPALX.git opal-x
git clone https://gitlab.psi.ch/OPAL/opal-x/src.git opal-x
cd opal-x
./gen_OPALrevision
@@ -56,7 +56,7 @@ module use Spack unstable
module load gcc/13.2.0 openmpi/5.0.7-z3y6-GH200-gpu
module load boost/1.82.0-znbt fftw/3.3.10-jctz gnutls/3.8.9-rtrg googletest/1.15.2-odox gsl/2.7.1-j2dk h5hut/2.0.0rc7-k63k openblas/0.3.29-d3m2 cmake/3.31.4-u2nm
git clone https://github.com/OPALX-project/OPALX.git opal-x
git clone https://gitlab.psi.ch/OPAL/opal-x/src.git opal-x
cd opal-x
./gen_OPALrevision
mkdir build_gh

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@@ -13,20 +13,6 @@ Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electr
Quantum ESPRESSO is an open initiative, in collaboration with many groups world-wide, coordinated by the Quantum ESPRESSO Foundation. Scientific work done using Quantum ESPRESSO should contain an explicit acknowledgment and reference to the main papers (see Quantum Espresso Homepage for the details).
## How to run on Merlin7
### 7.5
### CPU nodes
```bash
module purge
module use Spack unstable
module load gcc/12.3 openmpi/5.0.9-xqhy-A100-gpu quantum-espresso/7.5-zfwh-omp
```
### GH nodes
```bash
module purge
module use Spack unstable
module load nvhpc/25.7 openmpi/4.1.8-l3jj-GH200-gpu quantum-espresso/7.5-2ysd-gpu-omp
```
### 7.4.1
### A100 nodes
```bash
module purge

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@@ -3,25 +3,20 @@ date:
created: 2026-01-12
tags:
- getting_started
- draft
---
# New User Documentation Site
Starting in 2026, we are changing the design of the user documentation website.
Previously we had used the theme [Documentation for
Jekyll](https://github.com/tomjoht/documentation-theme-jekyll) together with
the [Jykell SSG](https://jekyllrb.com/), but have now switch to the more modern
Previously we had used the [documentation
theme](https://github.com/tomjoht/documentation-theme-jekyll) together with the
[Jykell SSG](https://jekyllrb.com/), but have now switch to the more modern
[Material for MkDocs](https://squidfunk.github.io/mkdocs-material/) theme and
SSG engine. This comes with a few improvements:
* searching is more complete and provides better results
* theme related improvements (day-night coloring, page layout, content formatting)
* edits for pages can be submitted via the *Edit* button (taking you to the
Gitea editor and letting you submit a pull request)
* edits for pages can be submitted via the *Edit* (this will direct you to the Gitea repository which hosts the documentation)
With the latter new feature, we encourage our users to point out any issues they
find with the documentation. Contributation are very welcome and will help in
ensuring that the documentation is kept up-to-date.
Notice also that we now have a dedicated [Support](../../support/index.md) page,
making it easier to find and use our different contact options.
TBD

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@@ -9,10 +9,10 @@
There are several channels you can use to get support:
* the **preferred** choice is to submit a ticket with [PSI Service Now](https://psi.service-now.com/psisp), alternatively
* you can also us our [user mailing list](#merlin-user-mailing-list), or
* you can also us our [user mailing list](#merlin-user-mailing-list), or lastly
* you can email the Admins directly <merlin-admins@lists.psi.ch>
??? info
!!! info
Basic contact information is also displayed on every shell login to the
system using the *Message of the Day* mechanism.

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@@ -3,10 +3,10 @@ site_name: HPCE User Documentation
site_url: https://hpce.pages.psi.ch
# Repository
repo_name: "User Documentation Repository"
repo_name: hpce-userdocs
repo_url: https://gitea.psi.ch/hpce/gitea-pages
# TODO unsure if this works, branch needs to be changed from `mkdocs` to `main`
edit_uri: _edit/master/docs/
edit_uri: _edit/mkdocs/docs/
# Copyright
copyright: Copyright &copy; 2025 HPC and Emerging Technologies Group/CSD @ Paul Scherrer Institut
@@ -25,9 +25,7 @@ theme:
- navigation.indexes
- toc.follow
- content.action.edit
# doesn't work with Gitea as the URL is based upon `edit_uri` which has an
# explcit '_' underline prefixed for edit but not raw?!
#- content.action.view
- content.action.view
palette:
- media: "(prefers-color-scheme)"
toggle:

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@@ -13,6 +13,6 @@
{% endfor %}
</ul>
{# TODO we should try using the pages object to always get the correct relative uri #}
<p>&rarr; Check out <a href="/news/index.html">News</a> for more...</p>
<p>&rarr; See <a href="/news/index.html">News</a> for more...</p>
{% endif %}
{% endblock %}

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