@@ -32,16 +32,17 @@ get information about these workloads:
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.. code-block :: console
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- $ ramble info gromacs
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+ $ ramble info -a workloads -v -p "water*" gromacs
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- Searching the output for the sections marked ``Workload: water_bare `` and
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+ Under the workloads marked by ``Workload: water_bare `` and
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``Workload: water_gmx50 ``, you should see something like the following output:
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.. code-block :: console
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Workload: water_gmx50
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Executables: ['pre-process', 'execute-gen']
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Inputs: ['water_gmx50_bare']
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+ Tags: []
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Variables:
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size:
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Description: Workload size
@@ -57,6 +58,7 @@ Searching the output for the sections marked ``Workload: water_bare`` and
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Workload: water_bare
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Executables: ['pre-process', 'execute-gen']
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Inputs: ['water_bare_hbonds']
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+ Tags: []
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Variables:
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size:
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Description: Workload size
@@ -70,27 +72,43 @@ Searching the output for the sections marked ``Workload: water_bare`` and
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Description: Input path for water bare hbonds
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Default: {water_bare_hbonds}/{size}
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-
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-
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Here we see that both of these workloads have a ``type `` variable (with
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possible values of ``pme `` and ``rf ``) and a ``size `` variable with a variety
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of available sizes.
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- Towards the bottom of the output you should also see information about a valid
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- software configuration:
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+ To determine a suggested software configuration, you can use:
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.. code-block :: console
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- Default Compilers:
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- gcc9:
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-
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+ $ ramble info -a software_specs,compilers -v gromacs
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+
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+ With this command, you should see output similar to the following:
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+ .. code-block :: console
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- Software Specs:
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- impi2021:
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-
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- gromacs:
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-
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- compiler = gcc9
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+ ##################
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+ # software_specs #
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+ ##################
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+ impi2018:
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+
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+ compiler_spec: None
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+ compiler: None
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+ package_manager: spack*
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+
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+ gromacs:
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+
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+ compiler_spec: None
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+ compiler: gcc9
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+ package_manager: spack*
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+
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+ #############
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+ # compilers #
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+ #############
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+ gcc9:
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+
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+ compiler_spec: None
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+ compiler: None
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+ package_manager: spack*
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This output does not represent the only possible configuration that works for
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this application, it only presents a good starting point. When using Ramble,
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