Singularity: Difference between revisions

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This command will work on a Cedar compute node, but not on Beluga or Graham, where compute nodes can not access the internet. We don't recommend building large Singularity images on login nodes because this process will affect other users and likely fail due to the high CPU and RAM usage. A two-step process described below can resolve the problem.
This command will work on a Cedar compute node but not on Béluga or Graham, where compute nodes can not access the internet. We don't recommend building large Singularity images on login nodes because this process will affect other users and likely fail due to the high CPU and RAM usage. The following two-step process can solve the problem.
# Download a Docker image without converting it to Singularity. The download-frozen-image tool from the [https://github.com/moby/moby/ Moby Project] can be used to do this. This step is not computationally intensive and can be done on any data mover or login node.  
# Download a Docker image without converting it to Singularity. The [https://raw.githubusercontent.com/moby/moby/master/contrib/download-frozen-image-v2.sh download-frozen-image] tool from the [https://github.com/moby/moby/ Moby Project] can be used to do this. This step is not computationally intensive and can be done on any data transfer or login node.  
# Convert the downloaded Docker image to Singularity image. This step is computationally intensive and requires memory and CPU allocation.
# Convert the downloaded Docker image to Singularity image. This step is computationally intensive and so should be done on a compute node with a suitable allocation of memory and CPU.


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As an example, let's download and build the GQCP Singularity image.
As an example, let's download and build a Singularity image for the package [https://gqcg.github.io/GQCP/ GQCP].


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On a data mover node or a login node download the GQCP Docker image:
On a data transfer node or a login node download the Docker image:
<source>$ cd ~/scratch
<source>$ cd ~/scratch
$ wget https://raw.githubusercontent.com/moby/moby/master/contrib/download-frozen-image-v2.sh
$ wget https://raw.githubusercontent.com/moby/moby/master/contrib/download-frozen-image-v2.sh
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Start an interactive session from a login node:
Start an [[Running_jobs#Interactive_jobs|interactive job]]:
<source>$ cd ~/scratch
<source>$ cd ~/scratch
$ salloc --mem-per-cpu=2000 --cpus-per-task=4 --time=1:0:0</source>
$ salloc --mem-per-cpu=2000 --cpus-per-task=4 --time=1:0:0</source>
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