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Merge pull request #501 from yandthj/vermilion-remove-vasp
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Remove VASP from Running on Vermilion
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yandthj authored Oct 13, 2023
2 parents f089529 + 763a643 commit 4c3c848
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Expand Up @@ -95,5 +95,4 @@ Please see the [Kestrel Environments section](./Environments/index.md) for detai

## Contributions

The [Kestrel repo](https://github.com/NREL/HPC/tree/master/kestrel) is open for contributions of examples, scripts, and other resources that would benefit the user community. To contribute, please open a Pull Request or contact [HPC-Help@nrel.gov](mailto://hpc-help@nrel.gov). To recommend topics to be covered, please open an [issue](https://github.com/NREL/HPC/issues) in the repository.

The [Kestrel repo](https://github.com/NREL/HPC/tree/master/kestrel) is open for contributions of examples, scripts, and other resources that would benefit the user community. To contribute, please open a Pull Request or contact [HPC-Help@nrel.gov](mailto://hpc-help@nrel.gov). To recommend topics to be covered, please open an [issue](https://github.com/NREL/HPC/issues) in the repository.
18 changes: 9 additions & 9 deletions docs/Documentation/Systems/Vermilion/modules.md
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Expand Up @@ -10,7 +10,7 @@ grand_parent: Systems
# Vermilion Modules and Applications
*This page describes how to activate and use the modules available on Vermilion. Modules are not available by default on the machine. This page discusses how to enable them.*

The page [Running](./running.md) describes running on Vermilion in more detail including a description of the hardware, partitions, simple build and run scripts and launching Vasp.
The page [Running on Vermilion](./running.md) describes running on Vermilion in more detail including a description of the hardware, partitions, and simple build and run scripts. For performance recommendations and sample scripts for running specific applications, please see the pages in the "Applications" section.

The Vermilion HPC cluster marries traditional HPC deployments and modern cloud architectures, both using the OpenHPC infrastructure, and [Spack](https://spack.io).

Expand Down Expand Up @@ -45,17 +45,18 @@ myenv.\* in sub directories. For example
* Has some newer versions of compilers and other packages such as python 3.10.2 & gcc 12.1.


!!! warning "Important"
Currently, none of these environments are loaded by default for users. Users must source one of the /nopt/nrel/apps/210929a/myenv.\* files to enable an environment.

Currently, none of these environments are loaded by default for users. Users must source one of the /nopt/nrel/apps/210929a/myenv.\* files to enable an environment.
The recommended environment is enabled by running the source command:

The recommended environment is enabled by running the source command:

```
source /nopt/nrel/apps/210929a/myenv.2110041605
```

```
source /nopt/nrel/apps/210929a/myenv.2110041605
```

**NOTE: You may want to add this line to your .bashrc file so modules are available at login.**
You may want to add this line to your .bashrc file so modules are available at login.

After sourcing this file you will have access to a set of modules. These can be listed using the following command:

Expand Down Expand Up @@ -84,6 +85,5 @@ You can load the Intel compilers (icc,icpc, ifort, mpiicc, mpiifort...) with the
The python in this environment is very up to date, version 3.10.0. It also contains many important packages including: numpy, scypi, matplotlib, pandas, jupyter, and jupyter-lab.

## Examples

The directory /nopt/nrel/apps/210929a/example contains some simple build and run scripts. The directory /nopt/nrel/apps/210929a/example/vasp contains information about running Vasp. These are discussed in more detail in the page [Running](./running.md).
Example build and run scripts are discussed in more detail on the page [Running on Vermilion](./running.md). Information about running VASP on Vermilion can be found on the [VASP page](../../Applications/vasp.md).

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