Differences

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--- howto:shifter [2017/07/26 15:03] – howto:run_with_shifter renamed to howto:shifter oschuett
+++ howto:shifter [2022/05/20 20:35] (current) – oschuett
@@ Line 3: / Line 3: @@
 Shifter is a open-source software stack that enables users to run custom environments on HPC systems. It is designed to be compatible with the popular Docker container format so that users can easily run Docker containers on HPC systems.
-For more information on Shifter see [[http://www.nersc.gov/research-and-development/user-defined-images/|here ]] and [[https://github.com/NERSC/shifter|here]]
+For more information on Shifter see:
+  * [[https://www.nersc.gov/research-and-development/user-defined-images/]]
+  * [[https://github.com/NERSC/shifter]]
 ==== Step 1 ====
-Pull the latest image from our [[https://hub.docker.com/r/cp2k/| repository]] at DockerHub:
+Note these instructions require at least version [[https://hub.docker.com/layers/cp2k/cp2k/cp2k/dev20220519/images/sha256-a1a9fcb53a981f21caf676e6acccf8cd5e1c3ad65f6284336d3f6aec2245fcf0 | cp2k/cp2k:dev20220519 ]].
+Pull an image from our [[https://hub.docker.com/r/cp2k/| repository]] at Docker Hub:
 <code>
 $ module load shifter
-$ shifterimg pull cp2k/cp2k:trunk
+$ shifterimg pull cp2k/cp2k:<version>
--07-26T16:32:30 Pulling Image: docker:cp2k/cp2k:trunk, status: READY
+ Pulling Image: docker:cp2k/cp2k:<version>, status: READY
+-05-20T08:44:03 Pulling Image: docker:cp2k/cp2k:<version>, status: READY
 </code>
 ==== Step 2 ====
@@ Line 19: / Line 25: @@
 <code>
-#!/bin/bash -l
+#!/bin/bash
-#SBATCH --image=docker:cp2k/cp2k:trunk
+#SBATCH --image=docker:cp2k/cp2k:<version>
+#SBATCH --module=mpich
 # ... (more sbatch options)
-module load shifter
+srun shifter --entrypoint cp2k -i H2O-64.inp
-srun shifter /opt/cp2k/exe/local/cp2k.psmp -i test.inp -o test.out
 </code>