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comment out realtime analysis
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3 files changed

+25
-25
lines changed

3 files changed

+25
-25
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examples/gromacs/npt_gromacs.yml

+12-12
Original file line numberDiff line numberDiff line change
@@ -31,18 +31,18 @@ steps:
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config:
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terms: [Density]
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output_xvg_path: 'density.xvg'
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- cwl_watcher:
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in:
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#cachedir_path: /absolute/path/to/cachedir/ (automatically filled in by wic)
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file_pattern: '*npt.edr' # This * is a glob wildcard, NOT an explicit edge!
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cwl_tool: gmx_energy
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max_times: '5'
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config:
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in:
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input_energy_path: npt.edr
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config:
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terms: [Density]
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output_xvg_path: density.xvg
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# - cwl_watcher:
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# in:
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# #cachedir_path: /absolute/path/to/cachedir/ (automatically filled in by wic)
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# file_pattern: '*npt.edr' # This * is a glob wildcard, NOT an explicit edge!
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# cwl_tool: gmx_energy
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# max_times: '5'
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# config:
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# in:
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# input_energy_path: npt.edr
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# config:
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# terms: [Density]
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# output_xvg_path: density.xvg
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wic:
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graphviz:

examples/gromacs/nvt.yml

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Original file line numberDiff line numberDiff line change
@@ -30,18 +30,18 @@ steps:
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output_xvg_path: temperature.xvg
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# NOTE: explicit edges are not supported with cwl_watcher, and all filenames
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# must be globally unique!
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- cwl_watcher:
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in:
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#cachedir_path: /absolute/path/to/cachedir/ (automatically filled in by wic)
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file_pattern: '*nvt.edr' # This * is a glob wildcard, NOT an explicit edge!
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cwl_tool: gmx_energy
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max_times: '5'
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config:
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in:
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input_energy_path: '*nvt.edr' # This * is automatically removed.
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config:
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terms: [Temperature]
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output_xvg_path: temperature.xvg
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# - cwl_watcher:
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# in:
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# #cachedir_path: /absolute/path/to/cachedir/ (automatically filled in by wic)
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# file_pattern: '*nvt.edr' # This * is a glob wildcard, NOT an explicit edge!
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# cwl_tool: gmx_energy
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# max_times: '5'
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# config:
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# in:
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# input_energy_path: '*nvt.edr' # This * is automatically removed.
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# config:
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# terms: [Temperature]
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# output_xvg_path: temperature.xvg
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wic:
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graphviz:

examples/gromacs/prod.yml

+1-1
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@@ -46,7 +46,7 @@ steps:
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output_crd_path: '&prod.gro'
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output_trr_path: '&prod.trr' # Explicitly specify for cwl_watcher
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output_edr_path: '&prod.edr'
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- cwl_watcher_analysis.yml:
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# - cwl_watcher_analysis.yml:
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wic:
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graphviz:

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