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--- howto:shifter [2017/07/29 12:30] – oschuett
+++ howto:shifter [2022/05/20 20:35] (current) – oschuett
@@ Line 4: / Line 4: @@
 For more information on Shifter see:
-  * [[http://www.cscs.ch/publications/tutorials/2017/introduction_to_docker_containers_for_hpc_with_shifter/index.html]]
-  * [[https://user.cscs.ch/scientific_computing/supported_applications/shifter/]]
-  * [[https://user.cscs.ch/scientific_computing/supported_applications/shifter/advanced_shifter]]
   * [[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 Docker Hub:
+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 24: / 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 /cp2k/exe/local/cp2k.psmp -i test.inp -o test.out
 </code>