Replace tqdm with a logger for different modules.

varipeps/__init__.py

@@ -20,11 +20,4 @@
 
 jax_config.update("jax_enable_x64", True)
 
-from tqdm_loggable.tqdm_logging import tqdm_logging
-import datetime
-
-tqdm_logging.set_log_rate(datetime.timedelta(seconds=60))
-
-del datetime
-del tqdm_logging
 del jax_config

varipeps/config.py

@@ -1,11 +1,12 @@
 from dataclasses import dataclass
 from enum import Enum, IntEnum, auto, unique
+from typing import TypeVar, Tuple, Any, Type, NoReturn
+import logging
 
 import numpy as np
 
 from jax.tree_util import register_pytree_node_class
 
-from typing import TypeVar, Tuple, Any, Type, NoReturn
 
 T_VariPEPS_Config = TypeVar("T_VariPEPS_Config", bound="VariPEPS_Config")
 
@@ -54,6 +55,15 @@ class Slurm_Restart_Mode(IntEnum):
     AUTOMATIC_RESTART = auto()  #: Write restart script and start new slurm job with it
 
 
+@unique
+class LogLevel(IntEnum):
+    OFF = 0
+    ERROR = logging.ERROR
+    WARNING = logging.WARNING
+    INFO = logging.INFO
+    DEBUG = logging.DEBUG
+
+
 @dataclass
 @register_pytree_node_class
 class VariPEPS_Config:
@@ -234,6 +244,27 @@ class VariPEPS_Config:
         Type of wavevector to be used (only positive/symmetric interval/...).
       slurm_restart_mode (:obj:`Slurm_Restart_Mode`):
         Mode of operation to restart slurm job if maximal runtime is reached.
+      log_level_global (:obj:`LogLevel`):
+        Global logging level for the 'varipeps' package logger.
+      log_level_optimizer (:obj:`LogLevel`):
+        Logging level for 'varipeps.optimizer'.
+      log_level_ctmrg (:obj:`LogLevel`):
+        Logging level for 'varipeps.ctmrg'.
+      log_level_line_search (:obj:`LogLevel`):
+        Logging level for 'varipeps.line_search'.
+      log_level_expectation (:obj:`LogLevel`):
+        Logging level for 'varipeps.expectation'.
+      log_to_console (:obj:`bool`):
+        Enable standard console logging (StreamHandler).
+        Ignored when :obj:`VariPEPS_Config.log_tqdm` is True.
+      log_to_file (:obj:`bool`):
+        Enable logging to file.
+      log_file (:obj:`str`):
+        Filename for logging to file (used when :obj:`VariPEPS_Config.log_to_file` is True).
+      log_tqdm (:obj:`bool`):
+        Enable tqdm-based console logging. If True, messages from
+        'varipeps.optimizer' update a tqdm progress bar, while other modules
+        log via tqdm.write. File logging settings still apply.
     """
 
     # AD config
@@ -322,6 +353,17 @@ class VariPEPS_Config:
     # Slurm
     slurm_restart_mode: Slurm_Restart_Mode = Slurm_Restart_Mode.WRITE_NEED_RESTART_FILE
 
+    # Logging configuration
+    log_level_global: LogLevel = LogLevel.INFO
+    log_level_optimizer: LogLevel = LogLevel.INFO
+    log_level_ctmrg: LogLevel = LogLevel.INFO
+    log_level_line_search: LogLevel = LogLevel.INFO
+    log_level_expectation: LogLevel = LogLevel.INFO
+    log_to_console: bool = True
+    log_to_file: bool = False
+    log_file: str = "varipeps.log"
+    log_tqdm: bool = False              #: Enable tqdm-based console logging
+
     def update(self, name: str, value: Any) -> NoReturn:
         self.__setattr__(name, value)
 
@@ -358,12 +400,33 @@ def __setattr__(self, name: str, value: Any) -> NoReturn:
             elif (
                 field.type is bool
                 and hasattr(value, "dtype")
-                and np.isdtype(value.dtype, np.bool)
+                and np.issubdtype(value.dtype, np.bool_)
                 and value.size == 1
             ):
                 if value.ndim > 0:
                     value = value.reshape(-1)[0]
                 value = bool(value)
+            elif isinstance(field.type, type) and issubclass(field.type, Enum):
+                # Accept ints/np.int64 or enum names for Enum fields
+                if isinstance(value, field.type):
+                    pass
+                elif isinstance(value, (int,)) or (
+                    hasattr(value, "dtype")
+                    and np.issubdtype(value.dtype, np.integer)
+                    and value.size == 1
+                ):
+                    if hasattr(value, "ndim") and value.ndim > 0:
+                        value = value.reshape(-1)[0]
+                    value = field.type(int(value))
+                elif isinstance(value, str):
+                    try:
+                        value = field.type[value]
+                    except KeyError:
+                        value = field.type(int(value))
+                else:
+                    raise TypeError(
+                        f"Type mismatch for option '{name}', got '{type(value)}', expected '{field.type}'."
+                    )
             else:
                 raise TypeError(
                     f"Type mismatch for option '{name}', got '{type(value)}', expected '{field.type}'."
@@ -407,6 +470,7 @@ class ConfigModuleWrapper:
         "Projector_Method",
         "Wavevector_Type",
         "Slurm_Restart_Mode",
+        "LogLevel",
         "VariPEPS_Config",
         "config",
     }

varipeps/ctmrg/routine.py

@@ -5,6 +5,11 @@
 from jax import jit, custom_vjp, vjp, tree_util
 from jax.lax import cond, while_loop
 import jax.debug as jdebug
+import logging
+import time
+import jax
+
+logger = logging.getLogger("varipeps.ctmrg")
 
 from varipeps import varipeps_config, varipeps_global_state
 from varipeps.peps import PEPS_Tensor, PEPS_Tensor_Split_Transfer, PEPS_Unit_Cell
@@ -515,9 +520,8 @@ def corner_svd_func(old, new, old_corner, conv_eps, config):
         eps,
         config,
     )
-
-    if config.ctmrg_print_steps:
-        debug_print("CTMRG: {}: {}", count, measure)
+    if logger.isEnabledFor(logging.DEBUG):
+        jax.debug.callback(lambda cnt, msr: logger.debug(f"CTMRG: Step {cnt}: {msr}"), count, measure, ordered=True)
         if config.ctmrg_verbose_output:
             jax.debug.callback(print_verbose, verbose_data, ordered=True)
 
@@ -620,9 +624,9 @@ def calc_ctmrg_env(
     best_norm_smallest_S = None
     best_truncation_eps = None
     have_been_increased = False
-
     while True:
         tmp_count = 0
+        t0 = time.perf_counter()
         corner_singular_vals = None
 
         while tmp_count < varipeps_config.ctmrg_max_steps and (
@@ -720,6 +724,17 @@ def calc_ctmrg_env(
         else:
             converged = False
             end_count = tmp_count
+
+        if not converged and logger.isEnabledFor(logging.WARNING):
+            logger.warning(
+                "CTMRG: ❌ did not converge, took %.2f seconds. (Steps: %d, Smallest SVD Norm: %.3e)",
+                time.perf_counter() - t0, end_count, norm_smallest_S
+            )
+        elif logger.isEnabledFor(logging.INFO):
+            logger.info(
+                "CTMRG: ✅ converged, took %.2f seconds. (Steps: %d, Smallest SVD Norm: %.3e)",
+                time.perf_counter() - t0, end_count, norm_smallest_S
+            )
 
         if converged and (
             working_unitcell[0, 0][0][0].chi > best_chi or best_result is None
@@ -751,9 +766,9 @@ def calc_ctmrg_env(
                 working_unitcell = working_unitcell.change_chi(new_chi)
                 initial_unitcell = initial_unitcell.change_chi(new_chi)
 
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Increasing chi to {} since smallest SVD Norm was {}.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "Increasing chi to %d since smallest SVD Norm was %.3e.",
                         new_chi,
                         norm_smallest_S,
                     )
@@ -785,9 +800,9 @@ def calc_ctmrg_env(
             if not new_chi in already_tried_chi:
                 working_unitcell = working_unitcell.change_chi(new_chi)
 
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Decreasing chi to {} since smallest SVD Norm was {} or routine did not converge.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "Decreasing chi to %d since smallest SVD Norm was %.3e or routine did not converge.",
                         new_chi,
                         norm_smallest_S,
                     )
@@ -809,9 +824,9 @@ def calc_ctmrg_env(
                 new_truncation_eps
                 <= varipeps_config.ctmrg_increase_truncation_eps_max_value
             ):
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Increasing SVD truncation eps to {}.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "Increasing SVD truncation eps to %.1e.",
                         new_truncation_eps,
                     )
                 varipeps_global_state.ctmrg_effective_truncation_eps = (
@@ -884,6 +899,8 @@ def calc_ctmrg_env_fwd(
     Internal helper function of custom VJP to calculate the values in
     the forward sweep.
     """
+    if logger.isEnabledFor(logging.DEBUG):
+        logger.debug("Custom VJP: Starting forward CTMRG calculation.")
     new_unitcell, last_truncation_eps, norm_smallest_S = calc_ctmrg_env_custom_rule(
         peps_tensors, unitcell, _return_truncation_eps=True
     )
@@ -937,8 +954,8 @@ def _ctmrg_rev_while_body(carry):
 
     count += 1
 
-    if config.ad_custom_print_steps:
-        debug_print("Custom VJP: {}: {}", count, measure)
+    if logger.isEnabledFor(logging.DEBUG):
+        jax.debug.callback(lambda cnt, msr: logger.debug(f"Custom VJP: Step {cnt}: {msr}"), count, measure, ordered=True)
         if config.ad_custom_verbose_output:
             jax.debug.callback(print_verbose, verbose_data, ordered=True, ad=True)
 
@@ -1009,17 +1026,31 @@ def calc_ctmrg_env_rev(
     Internal helper function of custom VJP to calculate the gradient in
     the backward sweep.
     """
+    if logger.isEnabledFor(logging.DEBUG):
+        logger.debug("Custom VJP: Starting reverse CTMRG calculation.")
     unitcell_bar, _ = input_bar
     peps_tensors, new_unitcell, input_unitcell, last_truncation_eps = res
 
     varipeps_global_state.ctmrg_effective_truncation_eps = last_truncation_eps
 
+    if logger.isEnabledFor(logging.WARNING):
+        t0 = time.perf_counter()
     t_bar, converged, end_count = _ctmrg_rev_workhorse(
         peps_tensors, new_unitcell, unitcell_bar, varipeps_config, varipeps_global_state
     )
 
     varipeps_global_state.ctmrg_effective_truncation_eps = None
 
+    if not converged and logger.isEnabledFor(logging.WARNING):
+        logger.warning(
+            "Custom VJP: ❌ did not converge, took %.2f seconds. (Steps: %d)",
+            time.perf_counter() - t0, end_count
+        )
+    elif logger.isEnabledFor(logging.INFO):
+        logger.info(
+            "Custom VJP: ✅ converged, took %.2f seconds. (Steps: %d)",
+            time.perf_counter() - t0, end_count
+        )
     if end_count == varipeps_config.ad_custom_max_steps and not converged:
         raise CTMRGGradientNotConvergedError
 

varipeps/ctmrg/structure_factor_routine.py

@@ -5,6 +5,10 @@
 from jax import jit, custom_vjp, vjp, tree_util
 from jax.lax import cond, while_loop
 import jax.debug as jdebug
+import logging
+import time
+
+logger = logging.getLogger("varipeps.ctmrg")
 
 from varipeps import varipeps_config, varipeps_global_state
 from varipeps.peps import PEPS_Tensor, PEPS_Unit_Cell
@@ -125,8 +129,8 @@ def _ctmrg_body_func_structure_factor(carry):
         measure = jnp.linalg.norm(corner_svd - last_corner_svd)
         converged = measure < eps
 
-    if config.ctmrg_print_steps:
-        debug_print("CTMRG: {}: {}", count, measure)
+    if logger.isEnabledFor(logging.DEBUG):
+        jdebug.callback(lambda cnt, msr: logger.debug(f"CTMRG: Step {cnt}: {msr}"), count, measure, ordered=True)
         if config.ctmrg_verbose_output:
             for ti, ctm_enum_i, diff in verbose_data:
                 debug_print(
@@ -244,6 +248,7 @@ def calc_ctmrg_env_structure_factor(
     norm_smallest_S = jnp.nan
     already_tried_chi = {working_unitcell[0, 0][0][0].chi}
 
+    t0 = time.perf_counter()
     while True:
         tmp_count = 0
         corner_singular_vals = None
@@ -304,6 +309,17 @@ def calc_ctmrg_env_structure_factor(
             )
         )
 
+        if not converged and logger.isEnabledFor(logging.WARNING):
+            logger.warning(
+                "CTMRG (SF): ❌ did not converge, took %.2f seconds. (Steps: %d, Smallest SVD Norm: %.3e)",
+                time.perf_counter() - t0, end_count, norm_smallest_S
+            )
+        elif logger.isEnabledFor(logging.INFO):
+            logger.info(
+                "CTMRG (SF): ✅ converged, took %.2f seconds. (Steps: %d, Smallest SVD Norm: %.3e)",
+                time.perf_counter() - t0, end_count, norm_smallest_S
+            )
+
         current_truncation_eps = (
             varipeps_config.ctmrg_truncation_eps
             if varipeps_global_state.ctmrg_effective_truncation_eps is None
@@ -326,15 +342,14 @@ def calc_ctmrg_env_structure_factor(
                 working_unitcell = working_unitcell.change_chi(new_chi)
                 initial_unitcell = initial_unitcell.change_chi(new_chi)
 
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Increasing chi to {} since smallest SVD Norm was {}.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "CTMRG (SF): Increasing chi to %d since smallest SVD Norm was %.3e.",
                         new_chi,
                         norm_smallest_S,
                     )
 
                 already_tried_chi.add(new_chi)
-
                 continue
         elif (
             varipeps_config.ctmrg_heuristic_decrease_chi
@@ -351,15 +366,14 @@ def calc_ctmrg_env_structure_factor(
             if not new_chi in already_tried_chi:
                 working_unitcell = working_unitcell.change_chi(new_chi)
 
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Decreasing chi to {} since smallest SVD Norm was {}.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "CTMRG (SF): Decreasing chi to %d since smallest SVD Norm was %.3e.",
                         new_chi,
                         norm_smallest_S,
                     )
 
                 already_tried_chi.add(new_chi)
-
                 continue
 
         if (
@@ -375,9 +389,9 @@ def calc_ctmrg_env_structure_factor(
                 new_truncation_eps
                 <= varipeps_config.ctmrg_increase_truncation_eps_max_value
             ):
-                if varipeps_config.ctmrg_print_steps:
-                    debug_print(
-                        "CTMRG: Increasing SVD truncation eps to {}.",
+                if logger.isEnabledFor(logging.INFO):
+                    logger.info(
+                        "CTMRG (SF): Increasing SVD truncation eps to %g.",
                         new_truncation_eps,
                     )
                 varipeps_global_state.ctmrg_effective_truncation_eps = (