WVU-RC
2023.10
Introduction
Quick Start
Basic Usage
Advanced Usage
Scientific Programming
Software Administration
Domain Specific Details
Engineering: ANSYS Products
Engineering: ANSYS/Forte
Engineering: OpenFOAM 10
LAMMPS
Bioinformatics: Using Bowtie2
Visualization: VisIt
Compiling Planetary Modeling Packages
NAMD
Bioinformatics: Stacks
Electronic Structure: Orca
Clusters Specifications
References
WVU-RC
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Domain Specific Details
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Domain Specific Details
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Engineering: ANSYS Products
Log in to Spruce
Create an interactive job
Load the module for ANSYS Fluids or Structures
Executing the ANSYS package of your choice
Engineering: ANSYS/Forte
Overview
Features
Tutorial
Engineering: OpenFOAM 10
Run OpenFOAM with an interactive job
Using ParaView with OpenFoam
LAMMPS
Creating the input file
Requesting an interactive job
Executing LAMMPS from a batch job
Bioinformatics: Using Bowtie2
1. Transfer the files
2. Preparing folders
3. Splitting the files
4. Using BSseeker2
4. Checking completion for all jobs
Visualization: VisIt
Introduction
Client Installation
Running VisIt in the Client/Server Model
Compiling Planetary Modeling Packages
Earth System Modeling Framework (ESMF)
Thermosphere Ionosphere Electrodynamics General Circulation Model (TIE-GCM)
The Global Ionosphere/Thermosphere Model (GITM)
NAMD
Downloading the input files
Preparing the submission script
Submitting the job
Running NAMD on GPUs
Bioinformatics: Stacks
What is Stacks?
Getting the Samples
Preparing the SLURM submission script
Electronic Structure: Orca
Levels of Theory
The ORCA input file