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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
|
|
||||||
28
_data/sidebars/home_sidebar.yml
Normal file
28
_data/sidebars/home_sidebar.yml
Normal file
@@ -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
|
||||||
|
|
||||||
125
_data/sidebars/merlin6_sidebar.yml
Normal file
125
_data/sidebars/merlin6_sidebar.yml
Normal file
@@ -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
|
||||||
93
_data/sidebars/merlin7_sidebar.yml
Normal file
93
_data/sidebars/merlin7_sidebar.yml
Normal file
@@ -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
|
||||||
|
|
||||||
@@ -32,9 +32,7 @@ oversubscription, will be arbitrated by a panel within CSD.
|
|||||||
|
|
||||||
### Instructions for filling out the 2026 survey
|
### 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.
|
* 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
|
||||||
* 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.
|
|
||||||
* 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.
|
* 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
|
* 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.
|
can be obtained, but large storage assignments are not in scope for these projects.
|
||||||
|
|||||||
Binary file not shown.
|
Before Width: | Height: | Size: 24 KiB After Width: | Height: | Size: 27 KiB |
@@ -7,8 +7,8 @@ template: "frontpage.html"
|
|||||||
|
|
||||||
# HPCE User Documentation
|
# HPCE User Documentation
|
||||||
|
|
||||||
{ width="250px" }
|
{ width="350px" }
|
||||||
{ width="250px" }
|
{ width="350px" }
|
||||||
/// caption
|
/// caption
|
||||||
///
|
///
|
||||||
|
|
||||||
|
|||||||
@@ -1,8 +1,7 @@
|
|||||||
# Introduction
|
# Introduction
|
||||||
|
|
||||||
!!! failure "Deprecated"
|
!!! note
|
||||||
Merlin6 is no longer accessible for new users! Please have a look at
|
Merlin6 is no longer accessible for new users! Please have a look at [Merlin 7](../merlin7/01-Quick-Start-Guide/introduction.md) instead.
|
||||||
[Merlin 7](../merlin7/01-Quick-Start-Guide/introduction.md) instead.
|
|
||||||
|
|
||||||
## Slurm clusters
|
## Slurm clusters
|
||||||
|
|
||||||
@@ -11,8 +10,7 @@ Comprised the **`merlin6`** CPU cluster and the
|
|||||||
cluster (formally called [**`merlin5`**](../merlin5/cluster-introduction.md) is
|
cluster (formally called [**`merlin5`**](../merlin5/cluster-introduction.md) is
|
||||||
kept active with best effort support.
|
kept active with best effort support.
|
||||||
|
|
||||||
From July 2019, **`merlin6`** becomes the **default Slurm cluster** and any job
|
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.
|
||||||
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 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``.
|
* 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'
|
### Slurm 'merlin6'
|
||||||
|
|
||||||
**CPU nodes** are configured in a **Slurm** cluster, called **`merlin6`**, and
|
**CPU nodes** are configured in a **Slurm** cluster, called **`merlin6`**, and
|
||||||
this is the ***default Slurm cluster***. Hence, by default, if no Slurm cluster
|
this is the ***default Slurm cluster***. Hence, by default, if no Slurm cluster is
|
||||||
is specified (with the `--cluster` option), this will be the cluster to which
|
specified (with the `--cluster` option), this will be the cluster to which the jobs
|
||||||
the jobs will be sent.
|
will be sent.
|
||||||
|
|||||||
@@ -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
|
UNIX and Lustre permissions, accessing quotas information for a project you're not
|
||||||
a member of **is not possible**.
|
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
|
||||||
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
|
||||||
calling `merlin_quotas genconf --all-projects --force`. The
|
your existing config file) or by editing the file by hand (*not recommended*).
|
||||||
`--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*).
|
|
||||||
|
|
||||||
|
|||||||
@@ -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).
|
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
|
## How to run on Merlin7
|
||||||
## 2025.2
|
|
||||||
### CPU nodes
|
### CPU nodes
|
||||||
```bash
|
```bash
|
||||||
module use Spack unstable
|
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 use Spack unstable
|
||||||
module load gcc/12.3 openmpi/5.0.7-blxc-GH200-gpu gromacs/2025.2-cjnq-GH200-gpu-omp
|
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
|
### SBATCH CPU, 4 MPI ranks, 16 OMP threads
|
||||||
```bash
|
```bash
|
||||||
|
|||||||
@@ -13,7 +13,8 @@ GNU GPLv3
|
|||||||
[](https://gitea.psi.ch/HPCE/spack-psi)
|
[](https://gitea.psi.ch/HPCE/spack-psi)
|
||||||
```bash
|
```bash
|
||||||
module use Spack unstable
|
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>
|
cd <path to IPPL source directory>
|
||||||
mkdir build_gpu
|
mkdir build_gpu
|
||||||
|
|||||||
@@ -33,7 +33,7 @@ module purge
|
|||||||
module use Spack unstable
|
module use Spack unstable
|
||||||
module load gcc/13.2.0 openmpi/5.0.7-dnpr-A100-gpu
|
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
|
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
|
cd opal-x
|
||||||
./gen_OPALrevision
|
./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 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
|
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
|
cd opal-x
|
||||||
./gen_OPALrevision
|
./gen_OPALrevision
|
||||||
mkdir build_gh
|
mkdir build_gh
|
||||||
|
|||||||
@@ -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).
|
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
|
## 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
|
### A100 nodes
|
||||||
```bash
|
```bash
|
||||||
module purge
|
module purge
|
||||||
|
|||||||
@@ -3,25 +3,20 @@ date:
|
|||||||
created: 2026-01-12
|
created: 2026-01-12
|
||||||
tags:
|
tags:
|
||||||
- getting_started
|
- getting_started
|
||||||
|
- draft
|
||||||
---
|
---
|
||||||
|
|
||||||
# New User Documentation Site
|
# New User Documentation Site
|
||||||
|
|
||||||
Starting in 2026, we are changing the design of the user documentation website.
|
Starting in 2026, we are changing the design of the user documentation website.
|
||||||
Previously we had used the theme [Documentation for
|
Previously we had used the [documentation
|
||||||
Jekyll](https://github.com/tomjoht/documentation-theme-jekyll) together with
|
theme](https://github.com/tomjoht/documentation-theme-jekyll) together with the
|
||||||
the [Jykell SSG](https://jekyllrb.com/), but have now switch to the more modern
|
[Jykell SSG](https://jekyllrb.com/), but have now switch to the more modern
|
||||||
[Material for MkDocs](https://squidfunk.github.io/mkdocs-material/) theme and
|
[Material for MkDocs](https://squidfunk.github.io/mkdocs-material/) theme and
|
||||||
SSG engine. This comes with a few improvements:
|
SSG engine. This comes with a few improvements:
|
||||||
|
|
||||||
* searching is more complete and provides better results
|
* searching is more complete and provides better results
|
||||||
* theme related improvements (day-night coloring, page layout, content formatting)
|
* theme related improvements (day-night coloring, page layout, content formatting)
|
||||||
* edits for pages can be submitted via the *Edit* button (taking you to the
|
* edits for pages can be submitted via the *Edit* (this will direct you to the Gitea repository which hosts the documentation)
|
||||||
Gitea editor and letting you submit a pull request)
|
|
||||||
|
|
||||||
With the latter new feature, we encourage our users to point out any issues they
|
TBD
|
||||||
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.
|
|
||||||
|
|||||||
@@ -9,10 +9,10 @@
|
|||||||
There are several channels you can use to get support:
|
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
|
* 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>
|
* 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
|
Basic contact information is also displayed on every shell login to the
|
||||||
system using the *Message of the Day* mechanism.
|
system using the *Message of the Day* mechanism.
|
||||||
|
|
||||||
|
|||||||
@@ -6,7 +6,7 @@ site_url: https://hpce.pages.psi.ch
|
|||||||
repo_name: "User Documentation Repository"
|
repo_name: "User Documentation Repository"
|
||||||
repo_url: https://gitea.psi.ch/hpce/gitea-pages
|
repo_url: https://gitea.psi.ch/hpce/gitea-pages
|
||||||
# TODO unsure if this works, branch needs to be changed from `mkdocs` to `main`
|
# 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: Copyright © 2025 HPC and Emerging Technologies Group/CSD @ Paul Scherrer Institut
|
copyright: Copyright © 2025 HPC and Emerging Technologies Group/CSD @ Paul Scherrer Institut
|
||||||
@@ -25,9 +25,7 @@ theme:
|
|||||||
- navigation.indexes
|
- navigation.indexes
|
||||||
- toc.follow
|
- toc.follow
|
||||||
- content.action.edit
|
- content.action.edit
|
||||||
# doesn't work with Gitea as the URL is based upon `edit_uri` which has an
|
- content.action.view
|
||||||
# explcit '_' underline prefixed for edit but not raw?!
|
|
||||||
#- content.action.view
|
|
||||||
palette:
|
palette:
|
||||||
- media: "(prefers-color-scheme)"
|
- media: "(prefers-color-scheme)"
|
||||||
toggle:
|
toggle:
|
||||||
|
|||||||
@@ -13,6 +13,6 @@
|
|||||||
{% endfor %}
|
{% endfor %}
|
||||||
</ul>
|
</ul>
|
||||||
{# TODO we should try using the pages object to always get the correct relative uri #}
|
{# TODO we should try using the pages object to always get the correct relative uri #}
|
||||||
<p>→ Check out <a href="/news/index.html">News</a> for more...</p>
|
<p>→ See <a href="/news/index.html">News</a> for more...</p>
|
||||||
{% endif %}
|
{% endif %}
|
||||||
{% endblock %}
|
{% endblock %}
|
||||||
|
|||||||
16246
pdf/mydoc.pdf
Normal file
16246
pdf/mydoc.pdf
Normal file
File diff suppressed because it is too large
Load Diff
BIN
pdf/product1.pdf
Normal file
BIN
pdf/product1.pdf
Normal file
Binary file not shown.
BIN
pdf/product2.pdf
Normal file
BIN
pdf/product2.pdf
Normal file
Binary file not shown.
Reference in New Issue
Block a user