Added example scripts to generate & run many macs

OCL/CMakeLists.txt

@@ -43,19 +43,6 @@ target_link_libraries(OCL ${Geant4_LIBRARIES})
 # build Scint. This is so that we can run the executable directly because it
 # relies on these scripts being in the current working directory.
 #
-set(OCLSCRIPTS
-  PrintSimMacs.cpp
-  manyruns.sh 
-  )
-
-foreach(_script ${OCLSCRIPTS})
-  configure_file(
-    ${PROJECT_SOURCE_DIR}/${_script}
-    ${PROJECT_BINARY_DIR}/${_script}
-    COPYONLY
-    )
-endforeach()
-
 file(GLOB MACROS "${PROJECT_SOURCE_DIR}/*.mac")
 file(COPY ${MACROS} DESTINATION ${PROJECT_BINARY_DIR})
 
@@ -64,12 +51,12 @@ file(COPY ${MACROS} DESTINATION ${PROJECT_BINARY_DIR})
 #--------------------------------------------------------------------------
 #
 # Checks whether a "data" directory exists at the place GEANT4 wants to save
-# the root files. 
+# the root files.
 # If it does not exist, this will lead to errors when you run the simulation
 #
 IF(EXISTS "../data")
        message("-- Data directory exists (needed for the root outputs)")
-else() 
+else()
        message(SEND_ERROR " \n WARNING \n \"../data\" directory DOES NOT exists (needed for the root outputs)")
 endif()
 

OscarBuild/README.md

@@ -0,0 +1,8 @@
+# Additional scripts to generate macros / submitt jobs
+
+- `grid_response.py`: Genreates macros to use when simulating
+  the response for many incident energies
+- ` grid_simulations.py` and `grid_inbeam.py` are examples of how the geometry
+  can be changed by macros, thus that one can optimize some parameters of 
+  the geometry
+- `submitt_scripts` contains examples of how to submitt the scripts on the fram HPC using a helper script called [launcher](https://github.com/TACC/launcher)

OscarBuild/grid_inbeam.py

@@ -0,0 +1,53 @@
+import numpy as np
+from pathlib import Path
+import pandas as pd
+
+from grid_simulations import MacroGen
+
+if __name__ == "__main__":
+    np.random.seed(65432)
+    macgen = MacroGen()
+    macgen._base_geometry_cmd = "/control/execute setup_normal_run.mac"
+    macgen.run_macs = [#"run696keV.mac",
+                       # "run1779keV.mac", "run2838keV.mac",
+                       "runEx4617keV.mac",
+                       "run4440keV.mac"
+                       ]
+    # print(macgen.run())
+
+    # nominal thicknesses in cm
+    dnominal = {'front': 0.2, 'radial': 0.1, 'reflector': 0.1,
+                'lidhalf': 0.1, 'det': 16}
+    dthick = {'front': 0.2, 'radial': 0.1, 'reflector': 0.1,
+              'lidhalf': 0.2, 'det': 16}
+    dsaintgb = {'front': 0.08, 'radial': 0.08, 'reflector': 0.22,
+                'lidhalf': 0.1, 'det': 16}
+
+    grid = [dnominal, dthick, dsaintgb]
+    print("Items to calculate: ", len(grid))
+
+    fnbase = Path("inbeam_grid_macs")
+    fnbase.mkdir(exist_ok=True)
+    for i, pars in enumerate(grid):
+        # print(f"Simulating gridpoint {i}")
+        dtmp = pars
+
+        macgen.outname_base = f"inbeam_grid_{i}_"
+        macgen.dgeometry = dtmp
+        macro = macgen.save(fnbase / f"grid_{i}.mac")
+
+    # create summary file with commands to run
+    # due to concerns on calculation time we may not calculate all values,
+    # but start with a random selection
+    indices = np.arange(len(grid))
+    # np.random.shuffle(indices)
+
+    cmds = [f"./OCL inbeam_grid_macs/grid_{i}.mac" for i in indices]
+    cmd_string = "\n".join(*[cmds])
+    fn_sum = Path("inbeam_grid_cmd_all.txt")
+    fn_sum.write_text(cmd_string)
+
+    # grid_out = np.column_stack((np.arange(len(grid)), grid))
+    # grid_out = pd.DataFrame(grid_out, columns=["grid_point", *dnominal.keys()])
+    # grid_out = grid_out.astype({"grid_point": 'int'}, copy=False)
+    # grid_out.to_pickle("inbeam_grid_inbeam.pickle")

OscarBuild/grid_response.py

@@ -0,0 +1,86 @@
+import numpy as np
+from typing import Dict, List, Optional
+from pathlib import Path
+
+class MacroGenResponse:
+    def __init__(self, energy: Optional[float] = None,
+                 nevent: Optional[int] = None):
+        self.energy = energy
+        self.nevent = nevent
+        self.outdir = "../data/"
+        self.outname_base = "grid_"  # optionally: add eg sim_001_
+
+        self._base_geometry_cmd = "/control/execute setup_normal_run.mac"
+
+    def compose(self):
+        return '\n'.join(*[self.geometry() + self.run()])
+
+    def save(self, fname):
+        fn = Path(fname)
+        fn.write_text(self.compose())
+
+    def geometry(self,
+                 unit: str = "cm") -> List[str]:
+        string = [
+            self._base_geometry_cmd,
+            "/run/initialize",
+            ""]
+        return string
+
+    def run(self) -> List[str]:
+        assert np.issubdtype(type(self.nevent), np.integer)
+
+        outname_base = Path(self.outdir)
+        fnout = Path(f"{self.outname_base}{self.energy}keV_n{self.nevent}")
+        fnout = outname_base / fnout.with_suffix(".root")
+
+        def basestring(energykeV, fnout, nevent):
+            res = ["# Particle type, position, energy...",
+                   "/gps/particle gamma",
+                   "/gps/number 1",
+                   "",
+                   "# Particle source distribution",
+                   "/gps/pos/type Plane",
+                   "/gps/pos/shape Ellipse",
+                   "/gps/pos/centre 0. 0. 0. mm",
+                   "/gps/pos/halfx 0.75 mm",
+                   "/gps/pos/halfy 1.25 mm",
+                   "/gps/ang/type iso",
+                   "",
+                   f"/gps/energy {energykeV} keV",
+                   f"/OCL/setOutName {fnout}",
+                   "",
+                   "# Number of events to run",
+                   f"/run/beamOn {nevent}",
+                   ]
+            return res
+
+        string = basestring(self.energy, fnout, self.nevent)
+        # flat_list = [item for sublist in string for item in sublist]
+        return string
+
+
+if __name__ == "__main__":
+    energy_grid = np.arange(50, 1e4, 10, dtype=int)
+    nevents = np.linspace(6e5, 3e6, len(energy_grid), dtype=np.int)
+
+    energy_grid = np.append(energy_grid, [int(1.2e4), int(1.5e4), int(2e4)])
+    nevents = np.append(nevents, [int(3e6), int(3e6), int(3e6)])
+
+    fnbase = Path("response_grid_macs")
+    fnbase.mkdir(exist_ok=True)
+    for i, (energy, nevent) in enumerate(zip(energy_grid, nevents)):
+        # print(f"Simulating gridpoint {i}")
+        macgen = MacroGenResponse(energy=energy, nevent=nevent)
+        macro = macgen.save(fnbase / f"grid_{i}.mac")
+
+    # create summary file with commands to run
+    # sorted by decreasing computation time (highest energies first)
+    indices = np.arange(len(energy_grid))
+    # np.random.shuffle(indices)
+
+    cmds = [f"./OCL {fnbase}/grid_{i}.mac > $LOGDIR/out.o$LAUNCHER_JID"
+            for i in indices[::-1]]
+    cmd_string = "\n".join(*[cmds])
+    fn_sum = Path("response_grid_cmds.txt")
+    fn_sum.write_text(cmd_string)