Keep multiple message file outputs.

Disambiguate them with cluster job id prefixes.

hoomd_validation/alj_2d.py

@@ -91,7 +91,7 @@ def alj_2d_create_initial_state(*jobs):
 
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
 
     num_particles = job.statepoint['num_particles']
     density = job.statepoint['density']
@@ -322,7 +322,7 @@ def alj_2d_nve_md_job(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{sim_mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{sim_mode}_{device_name}.log'))
         run_nve_md_sim(job,
                        device,
                        complete_filename=f'{sim_mode}_{device_name}_complete')

hoomd_validation/hard_disk.py

@@ -101,7 +101,7 @@ def hard_disk_create_initial_state(*jobs):
     # create snapshot
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
     snap = hoomd.Snapshot(communicator)
 
     if communicator.rank == 0:
@@ -566,7 +566,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{mode}_{device_name}.log'))
 
         globals().get(f'run_{mode}_sim')(
             job, device, complete_filename=f'{mode}_{device_name}_complete')

hoomd_validation/hard_sphere.py

@@ -96,7 +96,7 @@ def hard_sphere_create_initial_state(*jobs):
     # create snapshot
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
     snap = hoomd.Snapshot(device.communicator)
 
     if device.communicator.rank == 0:
@@ -445,7 +445,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'run_{mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'run_{mode}_{device_name}.log'))
 
         globals().get(f'run_{mode}_sim')(
             job, device, complete_filename=f'{mode}_{device_name}_complete')

hoomd_validation/lj_fluid.py

@@ -111,7 +111,7 @@ def lj_fluid_create_initial_state(*jobs):
     sp = job.sp
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
 
     box_volume = sp["num_particles"] / sp["density"]
     L = box_volume**(1 / 3.)
@@ -409,7 +409,7 @@ def md_sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{sim_mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{sim_mode}_{device_name}.log'))
 
         run_md_sim(job,
                    device,
@@ -808,7 +808,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{mode}_mc_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{mode}_mc_{device_name}.log'))
 
         globals().get(f'run_{mode}_mc_sim')(
             job, device, complete_filename=f'{mode}_mc_{device_name}_complete')
@@ -1338,7 +1338,7 @@ def lj_fluid_nve_md_job(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{sim_mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{sim_mode}_{device_name}.log'))
         run_nve_md_sim(job,
                        device,
                        run_length=run_length,

hoomd_validation/lj_union.py

@@ -99,7 +99,7 @@ def lj_union_create_initial_state(*jobs):
     sp = job.sp
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
 
     box_volume = sp["num_particles"] / sp["density"]
     L = box_volume**(1 / 3.)
@@ -439,7 +439,7 @@ def md_sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{sim_mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{sim_mode}_{device_name}.log'))
 
         run_md_sim(job,
                    device,
@@ -866,7 +866,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{mode}_mc_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{mode}_mc_{device_name}.log'))
 
         globals().get(f'run_{mode}_mc_sim')(
             job, device, complete_filename=f'{mode}_mc_{device_name}_complete')
@@ -1420,7 +1420,7 @@ def lj_union_nve_md_job(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{sim_mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{sim_mode}_{device_name}.log'))
         run_nve_md_sim(job,
                        device,
                        run_length=run_length,

hoomd_validation/patchy_particle_pressure.py

@@ -192,7 +192,7 @@ def patchy_particle_pressure_create_initial_state(*jobs):
     # create snapshot
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
     snap = hoomd.Snapshot(communicator)
 
     if communicator.rank == 0:
@@ -602,7 +602,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{mode}_{device_name}.log'))
 
         globals().get(f'run_{mode}_sim')(
             job, device, complete_filename=f'{mode}_{device_name}_complete')

hoomd_validation/simple_polygon.py

@@ -112,7 +112,7 @@ def simple_polygon_create_initial_state(*jobs):
     # create snapshot
     device = hoomd.device.CPU(
         communicator=communicator,
-        message_filename=job.fn('create_initial_state.log'))
+        message_filename=util.get_message_filename(job, 'create_initial_state.log'))
     snap = hoomd.Snapshot(communicator)
 
     if communicator.rank == 0:
@@ -488,7 +488,7 @@ def sampling_operation(*jobs):
 
         device = device_cls(
             communicator=communicator,
-            message_filename=job.fn(f'{mode}_{device_name}.log'))
+            message_filename=util.get_message_filename(job, f'{mode}_{device_name}.log'))
 
         globals().get(f'run_{mode}_sim')(
             job, device, complete_filename=f'{mode}_{device_name}_complete')

hoomd_validation/util.py

@@ -5,6 +5,7 @@
 
 import numpy
 import signac
+import os
 
 
 def true_all(*jobs, key):
@@ -28,6 +29,15 @@ def get_job_filename(sim_mode, device, name, type):
     return f"{sim_mode}_{suffix}_{name}.{type}"
 
 
+def get_message_filename(job, filename):
+    """Get a cluster job unique message filename.
+    """
+    cluster_id = os.environ.get('SLURM_JOB_ID', None)
+    if cluster_id is not None:
+        return job.fn(f'{cluster_id}-{filename}')
+    else:
+        return job.fn(filename)
+
 def run_up_to_walltime(sim, end_step, steps, walltime_stop):
     """Run a simulation, stopping early if a walltime limit is reached.