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{{Template:Status|ok|Status: All systems are up and running.}} <!--{{Template:Status|warn|Status: Jobs suspended on Justus 2}}

<!-- {{Template:Status|warn|Status: 19.06.2026 BinAC 2 WORK and PROJECT down }} --> Template usage examples: color ok(green),warn(yellow),alert(red). Enter custom text

Therefore we provide two template jobscripts for both steps at <code>/opt/bwhpc/common/bio/alphafold/3.0.1/bw ...your project directory or a workspace for slightly better performance. The template uses <code>$HOME/af3-models</code> because this environment variable works

Sample job script template for serial job: Sample job script template for a job running one multithreaded program instance:

Sample job script template for serial job: Sample job script template for a job running one multithreaded program instance:

== Queueing system template provided by Gaussian module ==

...e>3.4.0-gcccore-13.3.0</code> || <code>math/eigen</code> || Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and relat ...e>3.4.0-gcccore-13.3.0</code> || <code>math/eigen</code> || Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and relat

=== Template provided by Turbomole Module === To do a geometry optimization of the [[#Single node job template provided by Turbomole Module|previous job example]] modify bwHPC_turbomole_

4. copies the template batch script which was specifically designed for submission of g16 jobs int Users may make a copy of these examples and use it as template for their own job scripts:

...or starting a JupyterLab instance on BinAC 2. Load the module and copy the template job script into your workspace: Upon loading the module, you can list the available template job scripts and copy the one you need into your workspace:

{{Template:AttentionBox|Compute jobs on nodes must not write temporary data to $HOME.

{{Template:AttentionBox|Compute jobs on nodes '''must not''' write temporary I/O inten

Open the file and use one of the following snippets as template for your connection:

{{Template:Justus3}}

{{Template:Status|warn|Status: Upcoming maintenance: 17 September 2026, 08:00 - 18 Sep