Merge pull request #38 from gregvw/ml-python

Consolidate PyROL updates

packages/rol/pyrol/CMakeLists.txt

@@ -65,21 +65,28 @@ TRIBITS_ADD_OPTION_AND_DEFINE(PYROL_BINDER_SUPPRESS_ERRORS
   "Enable the suppress errors option of Binder."
   OFF )
 
+TRIBITS_ADD_OPTION_AND_DEFINE(PYROL_BINDER_USE_ONE_FILE
+  PYROL_USE_ONE_FILE
+  "Enable the use of one file by Binder."
+  OFF )
+
 TRIBITS_ADD_OPTION_AND_DEFINE(PYROL_BINDER_CMAKE_ERROR
   PYROL_CMAKE_ERROR
-  "Stop the configuration if binder fails."
+  "Stop the configuration if Binder fails."
   ON )
 
 TRIBITS_ADD_OPTION_AND_DEFINE(PYROL_BINDER_VERBOSE
   PYROL_B_VERBOSE
-  "Increase the verbosity of binder"
+  "Increase the verbosity of Binder"
   OFF )
 
 TRIBITS_ADD_OPTION_AND_DEFINE(PYROL_ENABLE_BINDER_UPDATE
   PYROL_UPDATE_GENERATED_SRC
   "Enable the update of the generated source files with Binder."
   OFF )
 
+SET(PYROL_BINDER_NUM_FILES "100" CACHE STRING "Maximum number of generated files by Binder.")
+
 MESSAGE("-- PYTHON_EXECUTABLE:")
 IF(NOT DEFINED ${PYTHON_EXECUTABLE})
   find_program(PYTHON_EXECUTABLE
@@ -130,6 +137,7 @@ list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeB")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeE")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeG")
+list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeP")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeU")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeB/pqn")
 list(APPEND ROL_all_include_dirs "${${PACKAGE_NAME}_SOURCE_DIR}/src/algorithm/TypeG/augmentedlagrangian/")
@@ -266,15 +274,6 @@ IF (PYROL_GENERATE_SRC)
     endforeach()
   endforeach()
 
-
-  #list(REMOVE_DUPLICATES PyROL_all_include_files_without_dir)
-  #list(REMOVE_ITEM PyROL_all_include_files_without_dir "")
-
-  #list(REMOVE_DUPLICATES PyROL_all_include_files_with_dir)
-  #list(REMOVE_ITEM PyROL_all_include_files_with_dir "")
-
-  #MESSAGE("PyROL_all_include_files_with_dir = ${PyROL_all_include_files_with_dir}")
-
   SET(CONTENTS "")
   FOREACH(line IN LISTS all_include_dirs)
     SET(CONTENTS "${CONTENTS}${line}\n")
@@ -295,7 +294,7 @@ IF (PYROL_GENERATE_SRC)
 
   file(MAKE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/python)
   file(MAKE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/src)
-      
+
   file (GLOB PyROLPyFiles2 "${CMAKE_CURRENT_BINARY_DIR}/python/*.py")
   list (APPEND PyROLPyFiles ${PyROLPyFiles2})
 
@@ -307,7 +306,12 @@ IF (PYROL_GENERATE_SRC)
   list(APPEND BINDER_OPTIONS ${binder_include_name})
   list(APPEND BINDER_OPTIONS --root-module pyrol)
   list(APPEND BINDER_OPTIONS --prefix ${CMAKE_CURRENT_BINARY_DIR}/binder)
-  list(APPEND BINDER_OPTIONS -max-file-size=1000000)
+  IF(PYROL_USE_ONE_FILE)
+    list(APPEND BINDER_OPTIONS -single-file)
+  ELSE()
+    list(APPEND BINDER_OPTIONS -max-file-size=1000000)
+    list(APPEND BINDER_OPTIONS -flat)
+  ENDIF()
   list(APPEND BINDER_OPTIONS --bind Teuchos)
   list(APPEND BINDER_OPTIONS --bind ROL)
   list(APPEND BINDER_OPTIONS --bind pyrol)
@@ -317,7 +321,7 @@ IF (PYROL_GENERATE_SRC)
   list(APPEND BINDER_OPTIONS --config ${BINDER_CFG})
   IF(PYROL_SUPPRESS_ERRORS)
     list(APPEND BINDER_OPTIONS --suppress-errors)
-  ENDIF()  
+  ENDIF()
   list(APPEND BINDER_OPTIONS --)
   IF(TPL_ENABLE_CUDA)
     list(APPEND BINDER_OPTIONS -x cuda --cuda-host-only)
@@ -337,10 +341,18 @@ IF (PYROL_GENERATE_SRC)
 
   message("BINDER_OPTIONS='${BINDER_OPTIONS}'")
 
+  IF(NOT PYROL_USE_ONE_FILE)
+    MATH(EXPR NUMBER_FILE "${PYROL_BINDER_NUM_FILES}")
+
+    foreach(index RANGE 0 ${NUMBER_FILE})
+      file(WRITE ${CMAKE_CURRENT_BINARY_DIR}/binder/pyrol_${index}.cpp "")
+    endforeach()
+  ENDIF()
+
   EXECUTE_PROCESS(COMMAND
     ${PyROL_BINDER_EXECUTABLE} ${BINDER_OPTIONS}
     RESULT_VARIABLE STATUS
-    OUTPUT_VARIABLE OUTPUT_BINDER 
+    OUTPUT_VARIABLE OUTPUT_BINDER
   )
 
   if(STATUS AND NOT STATUS EQUAL 0)
@@ -351,7 +363,7 @@ IF (PYROL_GENERATE_SRC)
       message("BINDER FAILED: ${STATUS}")
     endif()
   else()
-    message(STATUS "BINDER SUCCESS:") 
+    message(STATUS "BINDER SUCCESS:")
     message("${OUTPUT_BINDER}")
   endif()
 

packages/rol/pyrol/example/pytorch/rosenbrock_torch.py

@@ -0,0 +1,69 @@
+from TorchVectors    import TensorVector
+from TorchObjectives import TorchObjective
+
+from pyrol import getCout, Objective, Problem, Solver
+from pyrol.vectors import NumPyVector
+
+from pyrol.pyrol.Teuchos import ParameterList
+
+import numpy as np
+import time
+import torch
+
+
+class RosenbrockObjective(TorchObjective):
+
+    def __init__(self):
+        super().__init__()
+        self.alpha = 100
+
+    def torch_value(self, x):
+        # return torch.sum(self.alpha*(x[::2]**2 - x[1::2])**2 + (x[::2] - 1)**2)
+        return torch.sum(self.alpha*(x[:-1]**2 - x[1:])**2 + (x[:-1] - 1)**2)
+
+
+def build_parameter_list():
+    params = ParameterList()
+    params['General'] =  ParameterList()
+    params['General']['Output Level'] = 1
+    params['Step'] = ParameterList()
+    params['Step']['Trust Region'] = ParameterList()
+    params['Step']['Trust Region']['Subproblem Solver'] = 'Truncated CG'
+    params['Status Test'] = ParameterList()
+    params['Status Test']['Iteration Limit'] = 10000
+
+    return params
+
+
+def main():
+
+    torch.set_default_dtype(torch.float64)
+
+    device = torch.device('cuda' if torch.cuda.is_available() else 'cpu')
+    #device = torch.device('cpu')
+
+    start = time.time()
+    n = int(1e2)
+    print(device)
+    x = torch.empty(n, requires_grad=False, device=device)
+    x[ ::2] = -1.2
+    x[1::2] =  1.0
+    x = TensorVector(x)
+
+    objective = RosenbrockObjective()
+    g = x.clone()
+
+    stream = getCout()
+
+    problem = Problem(objective, x, g)
+    # problem.checkDerivatives(True, stream)
+
+    params = build_parameter_list()
+    solver = Solver(problem, params)
+    solver.solve(stream)
+    print(f"Solve time: {time.time() - start}\n")
+
+    print(g.torch_object.device)
+
+if __name__ == "__main__":
+    main()

packages/rol/pyrol/pyproject.toml

@@ -47,3 +47,4 @@ ROL_ENABLE_PYROL = "ON"
 PYROL_ENABLE_BINDER = "OFF"
 PYROL_PIP_INSTALL = "ON"
 CMAKE_INSTALL_RPATH="$ORIGIN/lib64;$ORIGIN/lib;$ORIGIN;@loader_path/lib64;@loader_path/lib;@loader_path"
+CMAKE_INTERPROCEDURAL_OPTIMIZATION="OFF"

packages/rol/pyrol/python/__init__.py

@@ -1,6 +1,8 @@
 import importlib
 
 from . getTypeName import getTypeName, getDefaultScalarType, ROL_classes, ROL_members
+from pyrol.pyrol.Teuchos import ParameterList
+
 
 __version__ = '0.1.0'
 def version():

packages/rol/pyrol/python/getTypeName.py

@@ -19,27 +19,57 @@ def new_method(self, *args, **kwargs):
         return cls_method(self, *args, **kwargs)
     return new_method
 
-def withTrackingConstructor(cls):
+def _decorator23(value_method):
+    def value(*args):
+        if len(args) == 2:
+            x, tol = args
+            return value_method(x.get_1(), x.get_2(), tol)
+        elif len(args) == 3:
+            u, z, tol = args
+            return value_method(u, z, tol)
+        else:
+            raise ArgumentError("Unexcepted number of arguments")
+    return value
+
+
+def _decorator34(value_method):
+    def value(*args):
+        if len(args) == 3:
+            c, x, tol = args
+            return value_method(c, x.get_1(), x.get_2(), tol)
+        elif len(args) == 4:
+            c, u, z, tol = args
+            return value_method(c, u, z, tol)
+        raise ArgumentError("Unexcepted number of arguments")
+    return value
+
+
+def withTrackingConstructor(cls_name, cls):
     class newCls(cls):
         def __init__(self, *args, **kwargs):
             super().__init__(*args, **kwargs)
 
             self._tracked_constructor_args = []
-            
+
             track(self, *args, **kwargs)
             method_names = [m for m in dir(cls) if callable(getattr(cls, m))]
 
             for name in method_names:
                 if name.startswith('add'):
                     setattr(newCls, name, tracking_method(getattr(cls, name)))
 
+            if cls_name.find('Objective_SimOpt') == 0:
+                self.value = _decorator23(self.value)
+            elif cls_name.find('Constraint_SimOpt') == 0:
+                self.value = _decorator34(self.value)
+
     return newCls
 
 
 ROL_members = {}
 for cls_name, cls_obj in inspect.getmembers(sys.modules['pyrol.pyrol.ROL']):
     if inspect.isclass(cls_obj):
-        cls_obj = withTrackingConstructor(cls_obj)
+        cls_obj = withTrackingConstructor(cls_name, cls_obj)
         trackedTypes.append(cls_obj)
         setattr(sys.modules['pyrol.pyrol.ROL'], cls_name, cls_obj)
     ROL_members[cls_name] = (cls_obj, inspect.isclass(cls_obj))
@@ -57,3 +87,11 @@ def getTypeName(class_name, scalar_type=getDefaultScalarType()):
             return ROL_classes[i][1]
     print("Warning: Unknown type \"{}\", the function returns None.".format(class_name))
     return None
+
+
+def getTypeName2(class_name):
+    for i in range(0, len(ROL_classes)):
+        if ROL_classes[i][0].lower().find(class_name.lower()) == 0:
+            return ROL_classes[i][1]
+    print("Warning: Unknown type \"{}\", the function returns None.".format(class_name))
+    return None

packages/rol/pyrol/scripts/PyROL_RCP.cfg

@@ -75,6 +75,7 @@
 -function ROL::TypeB::AlgorithmFactory
 -function ROL::TypeE::AlgorithmFactory
 -function ROL::TypeG::AlgorithmFactory
+-function ROL::TypeP::AlgorithmFactory
 -function ROL::TypeU::AlgorithmFactory
 -class ROL::ConstraintAssembler
 
@@ -101,7 +102,7 @@
 +trampoline_member_function_binder ROL::Vector::clone customClone
 
 +include_for_namespace ROL::PyROL <PyROL_ETI_helper.hpp>
--namespace ROL::details
+# -namespace ROL::details
 
 #################################################r
 # std library                                    #
@@ -156,6 +157,7 @@
 -class std::vector<Teuchos::RCP>
 +class std::vector<int>
 +class std::vector<double>
++class std::vector<std::vector<double>>
 +class std::vector<ROL::TimeStamp<double>>
 
 -namespace __gnu_cxx

packages/rol/pyrol/scripts/create_sdist

@@ -4,18 +4,18 @@
 # to and then run from the directory containing the ROL repository.
 
 
-# - Users of this script should check that the variables below are defined 
+# - Users of this script should check that the variables below are defined
 #   properly.
 ##############################################################################
-TRILINOS_VERSION="14.5"
+TRILINOS_VERSION="15.1"
 REPO_NAME="ROL-Trilinos"
 
 LLVM_PREFIX=$(spack location -i llvm)
 LLVM_VERSION=$(echo ${LLVM_PREFIX} | awk -F[\-\-] '{print $5}')
 GCC_PREFIX=$(spack location -i gcc)
 ##############################################################################
 
-## Other prerequisites: 
+## Other prerequisites:
 
 # * Binder (after the changes on its smart_holder branch)
 if [ ! command -v binder &> /dev/null ]
@@ -54,23 +54,20 @@ cmake -G Ninja \
 -D CMAKE_INSTALL_PREFIX:PATH=install \
 ./${REPO_NAME} -B./build
 
-## Step 2: Run Binder.
-make -C build
-
-## Step 3: Create the reduced tarball.
+## Step 2: Create the reduced tarball.
 make package_source -C build
 TARBALL_NAME="trilinos-${TRILINOS_VERSION}-Source"
 
-## Step 4: Unpack the reduced tarball.
+## Step 3: Unpack the reduced tarball.
 [ -d ${TARBALL_NAME} ] && rm -rf ${TARBALL_NAME}
 tar -zxf "build/${TARBALL_NAME}.tar.gz"
-mv ${TARBALL_NAME} pyrol 
+mv ${TARBALL_NAME} pyrol
 
-## Step 5: Create an SDist from the tarball.
+## Step 4: Create an SDist from the tarball.
 python -m pipx run build --sdist pyrol
 cp -r pyrol/dist/* .
 
-## Step 6: Clean up.
+## Step 5: Clean up.
 rm -rf build
 rm -rf ${REPO_NAME}/packages/rol/pyrol/binder
 rm -rf pyrol