Some enterprises are best served by fine-tuning large models to their needs, but a number of companies plan to build their own models, a project that would require access to GPUs. Google Cloud wants ...

Here are a few Slurm examples to aid in getting started with different scenarios. Click on the > to expand an example. This example requests resources for a job that cannot use more than one processor ...

PowerShell is a scripting language for Windows and is used for OS configuration and automation. You can use Notepad or PowerShell ISE to test your scripts. You can also run PowerShell scripts from a ...

Git isn’t hard to learn. Moreover, with a Git GUI such as Atlassian’s Sourcetree, and a SaaS code repository such as Bitbucket, mastery of the industry’s most powerful version control tools is within ...

1 Department of Gastrointestinal Surgery, The Second Affiliated Hospital of Chongqing Medical University, Chongqing, China 2 Department of Cardiology, The Second Affiliated Hospital of Chongqing ...

Abstract: GROMACS is one of the most popular Molecular Dynamic (MD) applications and is widely used in the field of chemical and bi-molecular system study. Similar to other MD applications, it needs ...

I want to set up RBFE (Relative Binding Free Energy) and ABFE (Absolute Binding Free Energy) simulations on my local workstation. How can I run them? The tutorial provides a SLURM shell script, but it ...

Now that you are connected to the cluster, it's time to learn about SLURM (Simple Linux Utility for Resource Management), which is the workload manager used on the cluster. SLURM handles job ...

Deadline’s Read the Screenplay series spotlighting the scripts behind awards season’s most talked-about movies continues with Nosferatu, Focus Features‘ gothic horror from writer-director Robert ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Atomistic molecular dynamics (MD) simulations have become an indispensable tool for ...