diff --git a/pySDC/helpers/plot_helper.py b/pySDC/helpers/plot_helper.py
index 8ddea7cd0c15e260165082a44b4098c73d56ed12..f1a6238dcd196111b43dea4aa13e4292b2a51791 100644
--- a/pySDC/helpers/plot_helper.py
+++ b/pySDC/helpers/plot_helper.py
@@ -42,6 +42,7 @@ def figsize_by_journal(journal, scale, ratio): # pragma: no cover
textwidths = {
'JSC_beamer': 426.79135,
'Springer_Numerical_Algorithms': 338.58778,
+ 'Springer_proceedings': 347.12354,
'JSC_thesis': 434.26027,
'TUHH_thesis': 426.79135,
}
@@ -50,6 +51,7 @@ def figsize_by_journal(journal, scale, ratio): # pragma: no cover
'JSC_beamer': 214.43411,
'JSC_thesis': 635.5,
'TUHH_thesis': 631.65118,
+ 'Springer_proceedings': 549.13828,
}
assert (
journal in textwidths.keys()
diff --git a/pySDC/implementations/convergence_controller_classes/step_size_limiter.py b/pySDC/implementations/convergence_controller_classes/step_size_limiter.py
index c3c7ede14513876a263f84edf6b023f7d752505b..10b4cd18b04ce95f9b6dfeff96e7b861abbf146c 100644
--- a/pySDC/implementations/convergence_controller_classes/step_size_limiter.py
+++ b/pySDC/implementations/convergence_controller_classes/step_size_limiter.py
@@ -192,12 +192,7 @@ class StepSizeRounding(ConvergenceController):
def get_new_step_size(self, controller, S, **kwargs):
"""
- Enforce an upper and lower limit to the step size here.
- Be aware that this is only tested when a new step size has been determined. That means if you set an initial
- value for the step size outside of the limits, and you don't do any further step size control, that value will
- go through.
- Also, the final step is adjusted such that we reach Tend as best as possible, which might give step sizes below
- the lower limit set here.
+ Round step size here
Args:
controller (pySDC.Controller): The controller
diff --git a/pySDC/implementations/hooks/log_solution.py b/pySDC/implementations/hooks/log_solution.py
index 42755a3287bef46c46629af2c5183cd325239d02..9cd5ba8e8d5394291be78a85e7f59cf85f1b67c4 100644
--- a/pySDC/implementations/hooks/log_solution.py
+++ b/pySDC/implementations/hooks/log_solution.py
@@ -122,7 +122,7 @@ class LogToFile(Hooks):
)
if not os.path.isdir(self.path):
- os.mkdir(self.path)
+ os.makedirs(self.path, exist_ok=True)
def log_to_file(self, step, level_number, condition, process_solution=None):
if level_number > 0:
@@ -188,3 +188,15 @@ class LogToFileAfterXs(LogToFile):
if L.time + L.dt >= self.t_next_log and not step.status.restart:
super().post_step(step, level_number)
self.t_next_log = max([L.time + L.dt, self.t_next_log]) + self.time_increment
+
+ def pre_run(self, step, level_number):
+ L = step.levels[level_number]
+ L.uend = L.u[0]
+
+ def process_solution(L):
+ return {
+ **type(self).process_solution(L),
+ 't': L.time,
+ }
+
+ self.log_to_file(step, level_number, type(self).logging_condition(L), process_solution=process_solution)
diff --git a/pySDC/projects/GPU/etc/generate_jobscript.py b/pySDC/projects/GPU/etc/generate_jobscript.py
index ff877bfa1e5da0055d33ae2e287ad59994ae2d61..c78e623b1f52fef7a4b762d46c5cbbe82bb52c6b 100644
--- a/pySDC/projects/GPU/etc/generate_jobscript.py
+++ b/pySDC/projects/GPU/etc/generate_jobscript.py
@@ -9,12 +9,14 @@ def generate_directories():
'''
import os
- for name in ['jobscripts', 'slurm-out']:
+ for name in ['jobscripts', 'slurm-out', 'nsys_profiles']:
path = f'{PROJECT_PATH}/etc/{name}'
os.makedirs(path, exist_ok=True)
-def get_jobscript_text(sbatch_options, srun_options, command, cluster):
+def get_jobscript_text(
+ sbatch_options, srun_options, command, cluster, name='Coffeebreak', nsys_profiling=False, OMP_NUM_THREADS=1
+):
"""
Generate the text for a jobscript
@@ -23,25 +25,33 @@ def get_jobscript_text(sbatch_options, srun_options, command, cluster):
srun_options (list): Options for the srun command
command (str): python (!) command. Will be prefaced by `python <path>/`
cluster (str): Name of the cluster you want to run on
+ name (str): Jobname
+ nsys_profiling (bool): Whether to generate an NSIGHT Systems profile
Returns:
str: Content of jobscript
"""
msg = '#!/usr/bin/bash\n\n'
+ msg += f'#SBATCH -J {name}\n'
+
for op in DEFAULT_SBATCH_OPTIONS + sbatch_options:
msg += f'#SBATCH {op}\n'
+ msg += f'\nexport OMP_NUM_THREADS={OMP_NUM_THREADS}\n'
msg += f'\nsource {PROJECT_PATH}/etc/venv_{cluster.lower()}/activate.sh\n'
srun_cmd = 'srun'
for op in DEFAULT_SRUN_OPTIONS + srun_options:
srun_cmd += f' {op}'
+ if nsys_profiling:
+ srun_cmd += f' nsys profile --trace=mpi,ucx,cuda,nvtx --output={PROJECT_PATH}/etc/nsys_profiles/{name}.%q{{SLURM_PROCID}}_%q{{SLURM_NTASKS}} --force-overwrite true'
+
msg += f'\n{srun_cmd} python {PROJECT_PATH}/{command}'
return msg
-def write_jobscript(sbatch_options, srun_options, command, cluster, submit=True):
+def write_jobscript(sbatch_options, srun_options, command, cluster, submit=True, **kwargs):
"""
Generate a jobscript.
@@ -54,11 +64,12 @@ def write_jobscript(sbatch_options, srun_options, command, cluster, submit=True)
"""
generate_directories()
- text = get_jobscript_text(sbatch_options, srun_options, command, cluster)
+ text = get_jobscript_text(sbatch_options, srun_options, command, cluster, **kwargs)
path = f'{PROJECT_PATH}/etc/jobscripts/{command.replace(" ", "").replace("/", "_")}-{cluster}.sh'
with open(path, 'w') as file:
file.write(text)
+ print(f'Written jobscript {path!r}')
if submit:
import os
diff --git a/pySDC/projects/GPU/etc/venv_booster/modules.sh b/pySDC/projects/GPU/etc/venv_booster/modules.sh
index bbadd908dd9a909dadde2492cc8c10ed88d95055..b8a11a925e9f212cf1fd4a2bfb0d34d2eeb8a53a 100644
--- a/pySDC/projects/GPU/etc/venv_booster/modules.sh
+++ b/pySDC/projects/GPU/etc/venv_booster/modules.sh
@@ -11,3 +11,4 @@ module load FFTW
module load mpi4py
module load FFmpeg/.6.0
module load SciPy-Stack
+module load texlive
diff --git a/pySDC/projects/GPU/etc/venv_jusuf/modules.sh b/pySDC/projects/GPU/etc/venv_jusuf/modules.sh
index 85ec025c8ec03326d9d24b655f9d79b691679285..5d3e339756c4ccaffbcb4c51658039300e7b44ee 100644
--- a/pySDC/projects/GPU/etc/venv_jusuf/modules.sh
+++ b/pySDC/projects/GPU/etc/venv_jusuf/modules.sh
@@ -10,4 +10,5 @@ module load Python
module load FFTW
module load mpi4py
module load FFmpeg/.6.0
-module load SciPy-Stack
+# module load SciPy-Stack
+module load texlive
diff --git a/pySDC/projects/GPU/etc/venv_jusuf/setup.sh b/pySDC/projects/GPU/etc/venv_jusuf/setup.sh
index 7a1378cdf015caf01c3ab3b78f5a8125d13b3049..40224178d7cbd913973335816b860c4baf3f59c9 100755
--- a/pySDC/projects/GPU/etc/venv_jusuf/setup.sh
+++ b/pySDC/projects/GPU/etc/venv_jusuf/setup.sh
@@ -16,4 +16,3 @@ FFTW_LIBRARY_DIR="/p/software/jusuf/stages/2024/software/FFTW/3.3.10-GCC-12.3.0/
python3 -m pip install -e /p/project1/ccstma/baumann7/qmat
python3 -m pip install -r "${ABSOLUTE_PATH}"/requirements.txt
python3 -m pip install -e /p/project1/ccstma/baumann7/pySDC/
-
diff --git a/pySDC/projects/Resilience/sweepers.py b/pySDC/projects/Resilience/sweepers.py
index ac2f54486e6957d2092461d8c4d6fd3d13997e08..3919a743310c6d02edc94bbc9104d3cb908985d6 100644
--- a/pySDC/projects/Resilience/sweepers.py
+++ b/pySDC/projects/Resilience/sweepers.py
@@ -26,6 +26,10 @@ class efficient_sweeper:
if self.params.initial_guess == 'spread':
L.u[m] = P.dtype_u(L.u[0])
L.f[m] = P.eval_f(L.u[m], L.time + L.dt * self.coll.nodes[m - 1])
+ elif self.params.initial_guess == 'copy':
+ L.f[0] = P.eval_f(L.u[0], L.time)
+ L.u[m] = P.dtype_u(L.u[0])
+ L.f[m] = P.dtype_f(L.f[0])
# start with zero everywhere
elif self.params.initial_guess == 'zero':
L.u[m] = P.dtype_u(init=P.init, val=0.0)
diff --git a/pySDC/projects/Resilience/venv/modules.sh b/pySDC/projects/Resilience/venv/modules.sh
index 59522b0904d7bd3eda0ac89304b5119ab79b97fc..07e78de848ac401b5d09c0df8726be6fd0154e2e 100644
--- a/pySDC/projects/Resilience/venv/modules.sh
+++ b/pySDC/projects/Resilience/venv/modules.sh
@@ -6,3 +6,4 @@ module load FFTW
module load Python/3.11.3
module load mpi4py
module load FFmpeg/.6.0
+module load texlive
diff --git a/pySDC/tests/test_convergence_controllers/test_step_size_limiter.py b/pySDC/tests/test_convergence_controllers/test_step_size_limiter.py
index 618fbea66edd3e5729ef353acdee3f6b5523c750..dc528c505d98d2efbedeaaabcd47556e543fcd4b 100644
--- a/pySDC/tests/test_convergence_controllers/test_step_size_limiter.py
+++ b/pySDC/tests/test_convergence_controllers/test_step_size_limiter.py
@@ -80,6 +80,11 @@ def test_step_size_slope_limiter():
limiter.get_new_step_size(controller, S)
assert L.status.dt_new == 1
+ L.params.dt = 1
+ L.status.dt_new = 1 - 1e-1
+ limiter.get_new_step_size(controller, S)
+ assert L.status.dt_new == 1
+
@pytest.mark.base
def test_step_size_limiter():