diff --git a/ptypy/config/i08-1_raar.yaml b/ptypy/config/i08-1_raar.yaml index 3193d5f..83db2e8 100755 --- a/ptypy/config/i08-1_raar.yaml +++ b/ptypy/config/i08-1_raar.yaml @@ -9,7 +9,7 @@ parameter_tree: engines: engine0: name: RAAR - numiter: 100 + numiter: numiter_contiguous: 10 beta: 0.7 probe_support: null @@ -33,7 +33,7 @@ parameter_tree: name: BlockFull coherence: num_object_modes: 1 - num_probe_modes: 1 + num_probe_modes: sample: diversity: null model: null diff --git a/ptypy/templates/ptypy-i08-1.yaml b/ptypy/templates/ptypy-i08-1.yaml index ea3b9f1..84bab2e 100644 --- a/ptypy/templates/ptypy-i08-1.yaml +++ b/ptypy/templates/ptypy-i08-1.yaml @@ -24,7 +24,7 @@ metadata: { "title": "Nr. of processes", "type": "integer", - "default": 4 + "default": 1 } workflows.diamond.ac.uk/parameter-schema.memory: | { @@ -39,6 +39,19 @@ metadata: "type": "boolean", "default": true } + workflows.diamond.ac.uk/parameter-schema.numiter: | + { + "title": "Nr. of iterations", + "type": "integer", + "default": 100 + } + workflows.diamond.ac.uk/parameter-schema.probemodes: | + { + "title": "Nr. of probe modes", + "type": "integer", + "default": 1 + } + spec: entrypoint: ptypy-pipeline arguments: @@ -53,11 +66,15 @@ spec: - name: outpath value: "processing/workflows/ptypy" - name: nprocs - value: "4" + value: "1" - name: memory value: 100Gi - name: usegpu value: "true" + - name: numiter + value: "100" + - name: probemodes + value: "1" volumeClaimTemplates: - metadata: name: tmpdir @@ -84,8 +101,12 @@ spec: INPUT="{{`{{ workflow.parameters.visitdir }}`}}"/nexus ID="{{`{{ workflow.parameters.id }}`}}" mkdir -p $OUTPUT/scan_$ID + NUMITER="{{`{{ workflow.parameters.numiter }}`}}" + PROBEMODES="{{`{{ workflow.parameters.probemodes }}`}}" echo '{{ .Files.Get "config/i08-1_raar.yaml" | b64enc }}' | base64 -d > $OUTPUT/scan_$ID/ptypy_config.yaml sed -i "s;;$INPUT/;" $OUTPUT/scan_$ID/ptypy_config.yaml + sed -i "s;;$NUMITER;" $OUTPUT/scan_$ID/ptypy_config.yaml + sed -i "s;;$PROBEMODES;" $OUTPUT/scan_$ID/ptypy_config.yaml "{{`{{ workflow.parameters.usegpu }}`}}" && sed -i "s;RAAR;RAAR_cupy;" $OUTPUT/scan_$ID/ptypy_config.yaml cat $OUTPUT/scan_$ID/ptypy_config.yaml outputs: