Feature/allow ensemble dir overwrite

.github/workflows/ci.yml

@@ -131,6 +131,10 @@ jobs:
             conda env update --file install/gen_deps_environment.yml
 
             pip install ax-platform==0.2.8
+
+        - name: Install surmise
+          if: matrix.os != 'macos-latest' && steps.cache.outputs.cache-hit != 'true'
+          run: |
             pip install --upgrade git+https://github.com/surmising/surmise.git@develop
 
         - name: Build ytopt and dependencies

docs/data_structures/libE_specs.rst

@@ -77,6 +77,10 @@ the ``LibeSpecs`` class. When provided as a Python class, options are validated
                     Whether to copy back directories within ``ensemble_dir_path`` back to launch
                     location. Useful if ``ensemble_dir_path`` located on node-local storage.
 
+                "reuse_ensemble_dir" [bool] = ``False``:
+                    Whether to allow overwrites and access to previous ensemble directories in subsequent runs. ``False``
+                    by default to protect results.
+
                 "use_worker_dirs" [bool] = ``False``:
                     Whether to organize calculation directories under worker-specific directories:
 

libensemble/comms/logs.py

@@ -53,14 +53,11 @@ def set_directory(self, dirname: str) -> None:
         dirname = Path(dirname)
         if not dirname.exists():
             dirname.mkdir(parents=True)
-        if self.logger_set:
-            logger = logging.getLogger(self.name)
-            logger.warning("Cannot set directory after loggers initialized")
-        else:
-            baselog = Path(self.filename).name
-            basestat = Path(self.stat_filename).name
-            self.filename = str(dirname / baselog)
-            self.stat_filename = str(dirname / basestat)
+
+        baselog = Path(self.filename).name
+        basestat = Path(self.stat_filename).name
+        self.filename = str(dirname / baselog)
+        self.stat_filename = str(dirname / basestat)
 
 
 class CommLogHandler(logging.Handler):
@@ -163,40 +160,43 @@ def manager_logging_config(specs={}):
     # Regular logging
     logconfig = LogConfig.config
 
-    if not logconfig.logger_set:
-        if specs.get("use_workflow_dir"):  # placing logfiles in separate directory
-            logconfig.set_directory(specs.get("workflow_dir_path"))
-
-        formatter = logging.Formatter(logconfig.fmt)
-        wfilter = WorkerIDFilter(0)
-        fh = logging.FileHandler(logconfig.filename, mode="w")
-        fh.addFilter(wfilter)
-        fh.setFormatter(formatter)
-        logger = logging.getLogger(logconfig.name)
-        logger.propagate = False
-        logger.setLevel(logconfig.log_level)  # Formatter filters on top of this
-        logger.addHandler(fh)
-        logconfig.logger_set = True
+    if specs.get("use_workflow_dir"):  # placing logfiles in separate directory
+        logconfig.set_directory(specs.get("workflow_dir_path"))
 
-        # Stats logging
-        # NB: Could add a specialized handler for immediate flushing
-        fhs = logging.FileHandler(logconfig.stat_filename, mode="w")
-        fhs.addFilter(wfilter)
-        fhs.setFormatter(logging.Formatter("%(prefix)s: %(message)s"))
-        stat_logger = logging.getLogger(logconfig.stats_name)
-        stat_logger.propagate = False
-        stat_logger.setLevel(logging.DEBUG)
-        stat_logger.addHandler(fhs)
-
-        # Mirror error-logging to stderr of user-specified level
-        fhe = logging.StreamHandler(stream=sys.stderr)
-        fhe.addFilter(wfilter)
-        efilter = ErrorFilter(logconfig.stderr_level)
-        fhe.addFilter(efilter)
-        fhe.setFormatter(formatter)
-        logger.addHandler(fhe)
-    else:
-        stat_logger = logging.getLogger(logconfig.stats_name)
+    formatter = logging.Formatter(logconfig.fmt)
+    wfilter = WorkerIDFilter(0)
+    fh = logging.FileHandler(logconfig.filename, mode="a")
+    fh.addFilter(wfilter)
+    fh.setFormatter(formatter)
+    logger = logging.getLogger(logconfig.name)
+    if logconfig.logger_set:
+        remove_handlers(logger)
+    logger.propagate = False
+    logger.setLevel(logconfig.log_level)  # Formatter filters on top of this
+    logger.addHandler(fh)
+    logconfig.logger_set = True
+
+    # Stats logging
+    # NB: Could add a specialized handler for immediate flushing
+    fhs = logging.FileHandler(logconfig.stat_filename, mode="a")
+    fhs.addFilter(wfilter)
+    fhs.setFormatter(logging.Formatter("%(prefix)s: %(message)s"))
+    stat_logger = logging.getLogger(logconfig.stats_name)
+    if logconfig.logger_set:
+        remove_handlers(stat_logger)
+    stat_logger.propagate = False
+    stat_logger.setLevel(logging.DEBUG)
+    stat_logger.addHandler(fhs)
+
+    # Mirror error-logging to stderr of user-specified level
+    fhe = logging.StreamHandler(stream=sys.stderr)
+    fhe.addFilter(wfilter)
+    efilter = ErrorFilter(logconfig.stderr_level)
+    fhe.addFilter(efilter)
+    fhe.setFormatter(formatter)
+    logger.addHandler(fhe)
+    # else:
+    # stat_logger = logging.getLogger(logconfig.stats_name)
 
     stat_logger.info(f"Starting ensemble at: {stat_timer.date_start}")
 

libensemble/manager.py

@@ -222,7 +222,7 @@ def __init__(
 
         try:
             temp_EnsembleDirectory.make_copyback()
-        except OSError as e:  # Ensemble dir exists and isn't empty.
+        except AssertionError as e:  # Ensemble dir exists and isn't empty.
             logger.manager_warning(_USER_CALC_DIR_WARNING.format(temp_EnsembleDirectory.ensemble_dir))
             self._kill_workers()
             raise ManagerException(

libensemble/specs.py

@@ -252,6 +252,12 @@ class LibeSpecs(BaseModel):
     in the workflow directory.
     """
 
+    reuse_ensemble_dir: Optional[bool] = False
+    """
+    Whether to allow overwrites and access to previous ensemble directories in subsequent runs. ``False``
+    by default to protect results.
+    """
+
     workflow_dir_path: Optional[Union[str, Path]] = "."
     """
     Optional path to the workflow directory. Autogenerated in the current directory if `use_workflow_dir`

libensemble/tests/functionality_tests/test_sim_dirs_per_calc.py

@@ -43,6 +43,7 @@
     libE_specs["sim_dir_copy_files"] = [dir_to_copy]
     libE_specs["sim_dir_symlink_files"] = [dir_to_symlink]
     libE_specs["ensemble_copy_back"] = True
+    libE_specs["reuse_ensemble_dir"] = True
 
     sim_specs = {
         "sim_f": sim_f,

libensemble/tests/functionality_tests/test_sim_dirs_with_exception.py

@@ -31,7 +31,7 @@
     e_ensemble = "./ensemble_ex_w" + str(nworkers) + "_" + libE_specs.get("comms")
 
     if not os.path.isdir(e_ensemble):
-        os.makedirs(os.path.join(e_ensemble, "sim0_worker0"), exist_ok=True)
+        os.makedirs(os.path.join(e_ensemble, "sim0"), exist_ok=True)
 
     libE_specs["sim_dirs_make"] = True
     libE_specs["ensemble_dir_path"] = e_ensemble

libensemble/tests/functionality_tests/test_sim_dirs_with_gen_dirs.py

@@ -74,7 +74,7 @@
 
     persis_info = add_unique_random_streams({}, nworkers + 1)
 
-    exit_criteria = {"sim_max": 21}
+    exit_criteria = {"sim_max": 20}
 
     H, persis_info, flag = libE(sim_specs, gen_specs, exit_criteria, persis_info, libE_specs=libE_specs)
 

libensemble/tests/functionality_tests/test_workflow_dir.py

@@ -0,0 +1,93 @@
+"""
+Runs libEnsemble with uniform random sampling and writes results into sim dirs.
+Tests sim_input_dir capabilities
+
+Execute via one of the following commands (e.g. 3 workers):
+   mpiexec -np 4 python test_sim_input_dir_option.py
+   python test_sim_input_dir_option.py --nworkers 3 --comms local
+   python test_sim_input_dir_option.py --nworkers 3 --comms tcp
+
+The number of concurrent evaluations of the objective function will be 4-1=3.
+"""
+
+# Do not change these lines - they are parsed by run-tests.sh
+# TESTSUITE_COMMS: mpi local tcp
+# TESTSUITE_NPROCS: 2 4
+
+import os
+
+import numpy as np
+
+from libensemble.gen_funcs.sampling import uniform_random_sample as gen_f
+from libensemble.libE import libE
+from libensemble.tests.regression_tests.support import write_sim_func as sim_f
+from libensemble.tools import add_unique_random_streams, parse_args
+
+nworkers, is_manager, libE_specs, _ = parse_args()
+
+# Main block is necessary only when using local comms with spawn start method (default on macOS and Windows).
+if __name__ == "__main__":
+    sim_input_dir = os.path.abspath("./sim_input_dir")
+    dir_to_copy = sim_input_dir + "/copy_this"
+
+    for dire in [sim_input_dir, dir_to_copy]:
+        if not os.path.isdir(dire):
+            os.makedirs(dire, exist_ok=True)
+
+    libE_specs["sim_input_dir"] = sim_input_dir
+    libE_specs["sim_dirs_make"] = False
+    libE_specs["sim_dir_symlink_files"] = [
+        os.path.abspath("./test_sim_input_dir_option.py")
+    ]  # to cover FileExistsError catch
+    libE_specs["ensemble_copy_back"] = True
+    libE_specs["use_workflow_dir"] = True
+
+    sim_specs = {
+        "sim_f": sim_f,
+        "in": ["x"],
+        "out": [("f", float)],
+    }
+
+    gen_specs = {
+        "gen_f": gen_f,
+        "out": [("x", float, (1,))],
+        "user": {
+            "gen_batch_size": 20,
+            "lb": np.array([-3]),
+            "ub": np.array([3]),
+        },
+    }
+
+    persis_info = add_unique_random_streams({}, nworkers + 1)
+
+    exit_criteria = {"sim_max": 21}
+
+    ensemble_lens = []
+    stats_lens = []
+
+    for i in range(2):
+
+        libE_specs["workflow_dir_path"] = (
+            "./test_workflow" + str(i) + "_nworkers" + str(nworkers) + "_comms-" + libE_specs["comms"]
+        )
+
+        H, persis_info, flag = libE(sim_specs, gen_specs, exit_criteria, persis_info, libE_specs=libE_specs)
+
+        assert os.path.isdir(libE_specs["workflow_dir_path"]), "workflow_dir not created"
+        assert all(
+            [
+                i in os.listdir(libE_specs["workflow_dir_path"])
+                for i in ["ensemble.log", "libE_stats.txt", "ensemble", "ensemble_back"]
+            ]
+        )
+
+        with open(os.path.join(libE_specs["workflow_dir_path"], "ensemble.log"), "r") as f:
+            lines = f.readlines()
+            ensemble_lens.append(len(lines))
+
+        with open(os.path.join(libE_specs["workflow_dir_path"], "libE_stats.txt"), "r") as f:
+            lines = f.readlines()
+            stats_lens.append(len(lines))
+
+    assert ensemble_lens[0] == ensemble_lens[1], "ensemble.log's didn't have same length"
+    assert stats_lens[0] == stats_lens[1], "libE_stats.txt's didn't have same length"

libensemble/tests/regression_tests/test_persistent_surmise_calib.py

@@ -25,6 +25,7 @@
 # TESTSUITE_COMMS: mpi local tcp
 # TESTSUITE_NPROCS: 3 4
 # TESTSUITE_EXTRA: true
+# TESTSUITE_OS_SKIP: OSX
 
 # Requires:
 #   Install Surmise package

libensemble/tests/regression_tests/test_persistent_surmise_killsims.py

@@ -25,6 +25,7 @@
 # TESTSUITE_COMMS: mpi local tcp
 # TESTSUITE_NPROCS: 3 4
 # TESTSUITE_EXTRA: true
+# TESTSUITE_OS_SKIP: OSX
 
 # Requires:
 #   Install Surmise package

libensemble/tests/unit_tests_logger/test_logger.py

@@ -66,7 +66,6 @@ def test_set_filename():
 
 
 def test_set_directory(tmp_path):
-    from libensemble.comms.logs import manager_logging_config
 
     logs = LogConfig.config
     logs.logger_set = False
@@ -77,14 +76,6 @@ def test_set_directory(tmp_path):
     assert logs.filename == os.path.join(tmp_path, "ensemble.log")
     assert logs.stat_filename == os.path.join(tmp_path, "libE_stats.txt")
 
-    manager_logging_config()
-    logger.set_directory("toolate")
-    assert logs.filename == os.path.join(tmp_path, "ensemble.log")
-    assert logs.stat_filename == os.path.join(tmp_path, "libE_stats.txt")
-
-    assert os.path.isfile(os.path.join(tmp_path, "ensemble.log"))
-    assert os.path.isfile(os.path.join(tmp_path, "libE_stats.txt"))
-
 
 def test_set_stderr_level():
     stderr_level = logger.get_stderr_level()

libensemble/utils/loc_stack.py

@@ -16,18 +16,24 @@ def __init__(self) -> None:
         self.dirs = {}
         self.stack = []
 
-    def copy_or_symlink(
-        self, destdir: str, copy_files: List[Path] = [], symlink_files: List[Path] = [], ignore_FileExists: bool = False
+    def copy_file(
+        self,
+        destdir: Path,
+        copy_files: List[Path] = [],
+        ignore_FileExists: bool = False,
+        allow_overwrite: bool = False,
     ) -> None:
         """Inspired by https://stackoverflow.com/a/9793699.
         Determine paths, basenames, and conditions for copying/symlinking
         """
         for file_path in copy_files:
             file_path = Path(file_path).absolute()
             dest_path = destdir / Path(file_path.name)
+            if allow_overwrite and dest_path.exists():
+                shutil.rmtree(dest_path)
             try:
                 if file_path.is_dir():
-                    shutil.copytree(file_path, dest_path)
+                    shutil.copytree(file_path, dest_path, dirs_exist_ok=allow_overwrite)
                 else:
                     shutil.copy(file_path, dest_path)
             except FileExistsError:
@@ -36,9 +42,19 @@ def copy_or_symlink(
                 else:  # Indicates problem with unique sim_dirs
                     raise
 
+    def symlink_file(
+        self,
+        destdir: Path,
+        symlink_files: List[Path] = [],
+        ignore_FileExists: bool = False,
+        allow_overwrite: bool = False,
+    ) -> None:
+
         for file_path in symlink_files:
             src_path = Path(file_path).absolute()
             dest_path = destdir / Path(file_path.name)
+            if allow_overwrite and dest_path.exists():
+                dest_path.unlink(missing_ok=True)
             try:
                 os.symlink(src_path, dest_path)
             except FileExistsError:
@@ -55,6 +71,7 @@ def register_loc(
         copy_files: List[Path] = [],
         symlink_files: List[Path] = [],
         ignore_FileExists: bool = False,
+        allow_overwrite: bool = False,
     ) -> str:
         """Register a new location in the dictionary.
 
@@ -84,8 +101,11 @@ def register_loc(
             dirname.mkdir(parents=True, exist_ok=True)
 
         self.dirs[key] = dirname
-        if len(copy_files) or len(symlink_files):
-            self.copy_or_symlink(dirname, copy_files, symlink_files, ignore_FileExists)
+        if len(copy_files):
+            self.copy_file(dirname, copy_files, ignore_FileExists, allow_overwrite)
+
+        if len(symlink_files):
+            self.symlink_file(dirname, symlink_files, ignore_FileExists, allow_overwrite)
 
         return dirname