Template for an Application Page

Documentation: link to documentation

Write a brief description of the program here.

Getting Started

This section provides the minimum amount of information necessary to successfully run a basic job on an NREL Cluster. This information should be as complete and self-contained as possible.

Instructions should be step-by-step and include copy-and-pastable commands where applicable.

For example, describe how the user can load the program module with module avail and module load:

module avail program
   program/2.0.0    program/1.0.0

module load program/2.0.0

Include a section on how to run the job, e.g. with job script examples or commands for an interactive session.

Example Job Scripts

Kestrel CPU

#!/bin/bash

# In a comment summarize the hardware requested, e.g. number of nodes, 
    # number of tasks per node, and number of threads per task

#SBATCH --time=
#SBATCH --nodes=
#SBATCH --ntasks-per-node=
#SBATCH --cpus-per-task=
#SBATCH --partition=
#SBATCH --account=

# include a section of relevant export and module load commands, e.g.:

module load gcc/8.4.0

export OMP_NUM_THREADS=

# include a sample srun command or similar
srun program.x

Vermillion

If the submit script for Vermillion differs from Kestrel, then include a Vermillion example script here. If the submit script does not differ, then remove this section (starting from the ??? example "Vermillion" line)

Swift

If the submit script for Swift differs from Kestrel, then include a Swift example script here. If the submit script does not differ, then remove this section (starting from the ??? example "Swift" line)

Template

Here's a template of a collapsible example.

You can include blocked sections

And unblocked sections.

Note

You can use a note to draw attention to the information in this section

Include instructions on how to submit the job script

Supported Versions

Kestrel	Swift	Vermillion
0.0.0	0.0.0	0.0.0

Advanced

Include advanced user information about the code here (see BerkeleyGW page for some examples)

One common "advanced case" might be that users want to build their own version of the code.

Building From Source

Here, give detailed and step-by-step instructions on how to build the code, if this step is necessary. Include detailed instructions for how to do it on each applicable HPC system. Be explicit in your instructions. Ideally a user reading one of the build sections can follow along step-by-step and have a functioning build by the end.

If building from source is not something anyone would reasonably want to do, remove this section.

Be sure to include where the user can download the source code

Simple Build Instructions on Kestrel

Include here, for example, a Kestrel-specific makefile (see berkeleygw example page). This template assumes that we build the code with only one toolchain, which may not be the case. If someone might reasonably want to build with multiple toolchains, use the "Multiple toolchain instructions on Kestrel" template instead.

Include relevant commands in blocks.

or as in-line blocks

Be sure to state how to set-up the necessary environment, e.g.:

module load gcc/8.4.0
module load openmpi/3.1.6/gcc-8.4.0
module load hdf5/1.10.6/gcc-ompi

Give instructions on compile commands. E.g., to view the available make targets, type make. To compile all program executables, type:

make cleanall
make all

Multiple Toolchain Instructions on Kestrel

Building with Cray MPICH

For example, put Cray MPICH-specific instructions here

Include relevant commands in blocks.

or as in-line blocks

Be sure to state how to set-up the necessary environment, e.g.:

module load gcc/8.4.0
module load openmpi/3.1.6/gcc-8.4.0
module load hdf5/1.10.6/gcc-ompi

Give instructions on compile commands. E.g., to view the available make targets, type make. To compile all program executables, type:

make cleanall
make all

Building with intel toolchain

For example, put intel-MPI specific instructions here

Building on Vermillion

information on how to build on Vermillion

Building on Swift

information on how to build on Swift

Troubleshooting

Include known problems and workarounds here, if applicable