NEAMS Workbench

CHANGELOG.md

@@ -13,6 +13,7 @@ and this project adheres to [Semantic Versioning](http://semver.org/spec/v2.0.0.
   executable to be used ([#75](https://github.com/watts-dev/watts/pull/75))
 * A `verbose` argument has been added to `Plugin.__call__` that controls whether
   screen output is printed ([#82](https://github.com/watts-dev/watts/pull/82))
+* Develop capability to run WATTS with NEAMS Workbench.
 
 ## [0.4.0]
 

doc/source/user/workbench.rst

@@ -0,0 +1,178 @@
+.. _workbench:
+
+Setup WATTS in NEAMS Workbench Environment
+------------------------------------------
+
+The `NEAMS Workbench <https://www.ornl.gov/onramp/neams-workbench>` is a tool
+that facilitates the use of multiple tools in analysis
+by providing a commom user interface for model creation, review, execution, output,
+and visualization for integrated codes. Instructions on how to download and install
+Workbench can be found on the Workbench
+`Gitlab repository <https://code.ornl.gov/neams-workbench/downloads>`.
+
+To set up WATTS in the Workbench environment, user needs to first provide the path to
+where Workbench is installed in `workbench.sh` under the `scripts` directory. User can
+then run `setup_conda_wb.sh` under the same directory to set up WATTS within
+the Workbench environment.
+
+Optional: To install OpenMC in the Workbench environemnt, run `setup_openmc.sh`.
+
+To finish setting up WATTS, open Workbench and go to the `File` tab at the top-left corner
+then select `Configurations` from the drop menu. In the `Application configurations`
+window, click `Add` on the top most row then select `WATTS` from the pop-up window.
+In the list of `Application Options`, input the path of `watts_ui.py` to `Executable`.
+The file should exist by default in `/watts/src/watt_ui/`. Next, click `Load Grammar`.
+Click `OK` to complete the setup.
+
+Optional: Environment variables can be added be added under `Run Environment`.
+
+WATTS Workbench Input File
+++++++++++++++++++++++++++
+
+To create a new WATTS input file in Workbench, go to `File`, select `New File`,
+and select `WATTS files (*.son)` from the drop down menu. An existing `*.son`
+file can also be dragged and dropped to the Workbench window.
+
+The WATTS input file utilizes a hierarchical block-based system where a block
+is defined with opening and closing curly braces `{ }`. A `watts` block is first
+created within which other blocks and variables can be defined. Within the `watts`
+block, `workflow_dir` needs to be defined as the path to the working directory
+(where all templates and extra files are located).
+
+Plugins
+~~~~~~~
+
+The `plugins` block is required. Within the `plugins` blocks are
+`plugin` sub-blocks where WATTS plugins are defined.
+
+.. code-block:: text
+    plugins{
+        plugin(ID1){
+            code = moose
+            template = "sam_template"
+            exec_dir = SAM_DIR
+            exec_name = "sam-opt"
+            extra_inputs=["file1", "file2", "file3"]
+            extra_templat_inputs=["template1", "template2", "template3"]
+            show_stderr = False
+            show_stdout = False
+        }
+
+        plugin(ID2){
+            code = PyARC
+            template = "pyarc_template"
+            executable = "path/to/pyarc/executable"
+            show_stderr = False
+            show_stdout = False
+        }
+    }
+
+Multiple `plugin` sub-blocks can be defined within the `plugins` block where
+each plugin is given a unique identity, as represented by `(ID1)` and `(ID2)`
+in the snippet above. For each sub-block the basic inputs are::
+
+     `code` : Name of the application
+     `template` : Name of the template file
+     `show_stderr` : Option to display error
+     `show_stdout` : Option to display output
+     `exec_dir` : Environment variable that points to the directory in which the application's executable is stored
+     `extra_inputs` : Additional non-templated input files
+     `extra_templateinputs` : Additional tempalted input files
+     `exec_name` : Name of the executable
+     `executable` : Path to the executable
+
+Note that user must provide either BOTH `exec_dir` and `exec_name` or
+ONLY `executable`. Additionally, there are  application-specific inputs
+that can be provided to the plugins such as::
+
+    `extra_args` (multiple apps) : Extra arguments to applications
+    `plotfl_to_csv` (RELAP5) : Option to convert `plotfl` file to `csv` file
+    `conv_channel` (SAS) : Path to `CHANNELtoCSV.x`
+    `conv_primar4` (SAS) : Path to `PRIMAR4toCSV.x`
+    `auto_link_files` (Dakota) : List of files for Dakota to link automatically
+    `scores` (OpenMC) : List of filters for tallies
+    `score_names` (OpenMC) : List of user-given names for tally filters
+
+Workflow level
+~~~~~~~~~~~~~~
+
+The `workflow_level1` block is required. The plugin to be used is specified
+by the `plugin` keyword::
+
+    plugin = ID1
+
+where 'ID1' is the ID of the plugin provided in the `plugins` block. The
+`variable` sub-block is where the values of the templated variables are
+specified, as shown below::
+
+    variables{
+        param(T_inlet) {value = 873.15}
+        param(T_outlet) {value = 1000.15}
+        param(flow_area) {value = 3.14e-4}
+        param(component_name) {value = pipe1}
+        param(Dh) {value = 1 unit = m}
+        param(location) {list = [top bottom left right]}
+        param(length) {list = [3.0 5.0 7.0 10.0]}
+        param(T_mean) {func = "0.5 * ( T_inlet + T_outlet )"}
+        param(wall_bc) {bool = "True"}
+    }
+
+Each `param` has a unique ID represented by the string in the parantheses
+shown in the snippet above. A `param` can accept different types of inputs
+depending on the provided key word provided. The `value` keyword is used
+for when a numeric or a string is provided. A `unit` keyword can be added
+if a user intends to utilize WATTS' internal unit-conversion capability.
+The `list` keyword is used for a list of numerics or strings. The `bool`
+keyword is used for booleans. The `func` keyword is used when a user
+intends to perform arithmetic with existing `param`. Note that each elemet
+in `func` must be separated by a space.
+
+Execution
++++++++++
+
+Three types of executions can be performed by WATTS on Workbench, namely
+direct execution, parametric study, and Picard iteration.
+
+Direct execution
+~~~~~~~~~~~~~~~~
+
+Direct execution is the simplest execution type. The user only needs to
+provide `workflow_dir`, `plugins` block, and `workflow_level1` block to
+perform direct execution.
+
+Parametric study
+~~~~~~~~~~~~~~~~
+
+To perform parametric study, a `parametric` block needs to be added to
+the `workflow_level1` block as follows::
+
+    parametric{
+        changing_params = "heat_source"
+        changing_values = [0, 1e5, 2e5, 3e5]
+    }
+
+where `changing_params` is the parameter whose values are varied and
+`changing_values` is a list of intended varied values.
+
+Picard iteration
+~~~~~~~~~~~~~~~~
+
+To perform Picard iteration, the `iteration` block needs to be added
+to the `workflow_level1` block::
+
+    iteration{
+        plugin_main = ID1
+        plugin_sub = ID2
+        nmax = 10
+        convergence_params = "keff"
+        convergence_criteria = 0.0001
+        to_sub_params = ["avg_Tf_1" "avg_Tf_2" "avg_Tf_3" "avg_Tf_4" "avg_Tf_5"]
+        to_main_params = ["Init_P_1" "Init_P_2" "Init_P_3" "Init_P_4" "Init_P_5"]
+    }
+
+where `plugin_main` and `plugin_sub` are the plugin IDs of the two applications,
+`nmax` is the maximum number of iterations, `convergence_params` is the parameter
+used for evaluating convergence, `convergence_criteria` is the tolerance for
+convergence, `to_sub_params` and `to_main_params` are lists of parameters whose
+values are iterated between the two applications where they each must have at least
+one parameter.

examples/1App_OpenMC_VHTR/README.md

@@ -18,4 +18,4 @@ This example provides a demonstration on how to use WATTS to perform a single SA
 
 - [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
 - [__openmc_template__](openmc_template.py): OpenMC templated model.
-
+- [__watts_comprehensive.son__](watts_comprehensive.son): Workbench input file for this example.

examples/1App_OpenMC_VHTR/watts_comprehensive.son

@@ -0,0 +1,47 @@
+watts{
+    % Change the working directory to the directory where the input files are stored. This is necessary
+    % due to how WATTS copies input files to the temporary working directory.
+    workflow_dir = "/Users/zhieejhiaooi/Documents/ANL/watts-devel/watts/examples/1App_OpenMC_VHTR"
+
+    plugins{
+        plugin(ID1){
+            code = openmc
+            template = "openmc_template.py"
+            scores = ["nu-fission"] % Name of scores for OpenMC tallies.
+            score_names = ["power"] % A more representative name for the scores. Optional but might be necessary for score names with 
+                                    % hyphens because Jinja and Workbench have difficulties reading hyphens.
+        }
+    }
+
+    workflow_level1{
+        plugin = ID1
+        variables{
+            param(ax_ref) {value = 2.0}
+            param(num_cool_pins) {value = 24}
+            param(num_fuel_pins) {value = 44}
+            param(Height_FC) {value = 2.0}
+            param(Lattice_pitch) {value = 2.0}
+            param(FuelPin_rad) {value = 0.9}
+            param(cool_hole_rad) {value = 0.6}
+            param(Coolant_channel_diam) {value = 0.012}
+            param(Graphite_thickness) {value = 0.5}
+            param(Assembly_pitch) {value = 17.3205080756887}
+            param(lbp_rad) {value = 0.25}
+            param(mod_ext_rad) {value = 0.90}
+            param(shell_thick) {value = 0.05}
+            param(liner_thick) {value = 0.007}
+            param(control_pin_rad) {value = 9.9, unit = mm}
+            param(cl) {value = 160.0}
+            param(pf) {value = 40.0}
+            param(temp) {value = 725.0}
+            param(temp_F1) {value = 725.0}
+            param(temp_F2) {value = 725.0}
+            param(temp_F3) {value = 725.0}
+            param(temp_F4) {value = 725.0}
+            param(temp_F5) {value = 725.0}
+            param(use_sab) = {bool = True}
+            param(use_sab_BeO) = {bool = True}
+            param(use_sab_YH2) = {bool = False}
+        }
+    }
+}

examples/1App_PyARC_UnitCell/README.md

@@ -18,3 +18,4 @@ This example provides a demonstration on how to use WATTS to perform a single Py
 - [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
 - [__pyarc_template__](pyarc_template): PyARC templated input file.
 - [__lumped.son__](lumped.son): SON file referenced in PyARC input with description of lumped fission products.
+- [__watts_comprehensive.son__](watts_comprehensive.son): Workbench input file for this example.

examples/1App_PyARC_UnitCell/watts_comprehensive.son

@@ -0,0 +1,26 @@
+watts{
+    % Change the working directory to the directory where the input files are stored. This is necessary
+    % due to how WATTS copies input files to the temporary working directory.
+    workflow_dir = "/Users/zhieejhiaooi/Documents/ANL/watts-devel/watts/examples/1App_PyARC_UnitCell"
+
+    plugins{
+        plugin(ID1){
+            code = "PyARC"
+            template = "pyarc_template"
+            extra_inputs = ["lumped.son"]
+            executable = "path/to/pyarc/executable"
+            show_stderr = False
+            show_stdout = True
+        }
+    }
+
+    workflow_level1{
+        plugin = ID1
+        variables{
+            param(assembly_pitch) {value = 20 unit = cm}
+            param(assembly_length) {value = 13 unit = cm}
+            param(temp) {value = 26.85 unit = Celsius}
+        }
+    }
+
+}

examples/1App_RELAP5_SingleChannel/README.md

@@ -17,3 +17,4 @@ This example provides a demonstration on how to use WATTS to run RELAP5-3D.
 
 - [__watts_exec.py__](watts_exec.py): This is the file to execute to run the problem described above.
 - [__relap5_template__](relap5_template): Templated RELAP5-3D input.
+- [__watts_comprehensive.son__](watts_comprehensive.son): Workbench input file for this example.

examples/1App_RELAP5_SingleChannel/watts_comprehensive.son

@@ -0,0 +1,29 @@
+watts{
+    % Change the working directory to the directory where the input files are stored. This is necessary
+    % due to how WATTS copies input files to the temporary working directory.
+    workflow_dir = "/Users/zhieejhiaooi/Documents/ANL/watts-devel/watts/examples/1App_RELAP5_SingleChannel"
+
+    % Make sure that all necessary files (executable, fluid property files, etc) are in the
+    % same directory as the input and template files. 
+    plugins{
+        plugin(ID1){
+            code = "RELAP5"
+            template = "relap5_template"
+            executable = "/path/to/relap5/executable"
+            show_stderr = False
+            show_stdout = False
+            plotfl_to_csv = True
+            % extra_args = ["-w", "tpfh2o", "-e", "tpfn2", "-tpfdir", "C:/Users/zooi/Documents/NSTF/watts/R5/"]
+        }
+    }
+
+    workflow_level1{
+        plugin = ID1
+        variables{
+            param(inlet_pressure) {value = 3.0e5}
+            param(outlet_pressure) {value = 1.013e5}
+            param(heater_power) {value = 20000}
+        }
+    }
+
+}

examples/1App_SAM_VHTR/README.md

@@ -18,3 +18,4 @@ This example provides a demonstration on how to use WATTS to perform a single SA
 
 - [__watts_exec.py__](watts_exec.py): WATTS workflow for this example. This is the file to execute to run the problem described above.
 - [__sam_template__](sam_template): SAM templated input file.
+- [__watts_comprehensive.son__](watts_comprehensive.son): Workbench input file for this example.

examples/1App_SAM_VHTR/watts_comprehensive.son

@@ -0,0 +1,59 @@
+watts{
+    % Change the working directory to the directory where the input files are stored. This is necessary
+    % due to how WATTS copies input files to the temporary working directory.
+    workflow_dir = "/Users/zhieejhiaooi/Documents/ANL/watts-devel/watts/examples/1App_SAM_VHTR"
+
+    plugins{
+        plugin(ID1){
+            code = moose
+            template = "sam_template"          
+            exec_dir = SAM_DIR
+            exec_name = "sam-opt"
+            show_stderr = False
+            show_stdout = False
+        }
+    }
+
+    workflow_level1{
+        plugin = ID1
+        variables{
+            param(He_inlet_temp) {value = 873.15}
+            param(He_outlet_temp) {value = 1023.15}
+            param(He_cp) {value = 5189.2}
+            param(He_K) {value = 0.32802}
+            param(He_density) {value = 3.8815}
+            param(He_viscosity) {value = 4.16e-5}
+            param(He_Pressure) {value = 7e6}
+            param(Tot_assembly_power) {value = 250000}
+
+            param("Init_P_1") {value = 1}
+            param("Init_P_2") {value = 1}
+            param("Init_P_3") {value = 1}
+            param("Init_P_4") {value = 1}
+            param("Init_P_5") {value = 1}
+
+            param(ax_ref) {value = 2.0}
+            param(num_cool_pins) {value = 24}
+            param(num_fuel_pins) {value = 44}
+            param(Height_FC) {value = 2.0}
+            param(Lattice_pitch) {value = 2.0}
+            param(FuelPin_rad) {value = 0.9}
+            param(cool_hole_rad) {value = 0.6}
+            param(Coolant_channel_diam) {value = 0.012}
+            param(Graphite_thickness) {value = 0.5}
+            param(Assembly_pitch) {value = 17.3205080756887}
+            param(lbp_rad) {value = 0.25}
+            param(mod_ext_rad) {value = 0.90}
+            param(shell_thick) {value = 0.05}
+            param(liner_thick) {value = 0.007}
+            param(control_pin_rad) {value = 9.9, unit = mm}
+            param(cl) {value = 160.0}
+            param(pf) {value = 40.0}
+            param(temp) {value = 700.0}
+            param(use_sab) = {bool = True}
+            param(use_sab_BeO) = {bool = True}
+            param(use_sab_YH2) = {bool = False}
+        }
+    }
+
+}

examples/1App_SAS_MultiTemplates_SodiumLoop/README.md

@@ -25,3 +25,4 @@ This example provides a demonstration on how to use WATTS to perform a simulatio
 - [__PointKinetics__](PointKinetics): Extra templated SAS input.
 - [__PRIMAR4__](PRIMAR4): Extra templated SAS input.
 - [__Primary__](Primary): Extra templated SAS input.
+- [__watts_comprehensive.son__](watts_comprehensive.son): Workbench input file for this example.