myqueue - pypi Package Compare versions

Comparing version 24.5.0 to 24.5.1

docs/releasenotes.rst

@@ -17,2 +17,9 @@ .. _releases:
 
+Version 24.5.1
+==============
+
+* Fixed a problem with multinode jobs with 1 process
+  (:issue:`58`, :mr:`144`).
+
+
 Version 24.5.0
@@ -19,0 +26,0 @@ ==============

docs/workflows.rst

@@ -13,4 +13,7 @@ .. _workflows:
 
-* `Workflow for C2DB project
-  <https://cmr.fysik.dtu.dk/c2db/c2db.html#workflow>`__
+* Workflow for testing a `GPAW exercise
+  <https://wiki.fysik.dtu.dk/gpaw/summerschools/summerschool22/
+  catalysis/catalysis.html>`__:
+  `agts.py <https://gitlab.com/gpaw/gpaw/-/blob/master/doc/summerschools/
+  summerschool22/catalysis/agts.py>`__
 
@@ -17,0 +20,0 @@

myqueue.egg-info/PKG-INFO

 Metadata-Version: 2.1
 Name: myqueue
-Version: 24.5.0
+Version: 24.5.1
 Summary: Frontend for SLURM/LSF/PBS
@@ -5,0 +5,0 @@ Maintainer-email: Jens Jørgen Mortensen <[e-mail]>

myqueue/schedulers/slurm.py

@@ -18,4 +18,21 @@ from __future__ import annotations
 
-        ntasks = task.resources.processes
-        cpus_per_task = task.resources.cores // ntasks
+        env = []
+
+        cmd = str(task.cmd)
+
+        if task.resources.processes == 1:
+            cmd = cmd.replace('python3', self.config.serial_python)
+            ntasks = task.resources.cores
+            cpus_per_task = 1
+        else:
+            if 'OMP_NUM_THREADS' not in os.environ:
+                env.append(('OMP_NUM_THREADS', '1'))
+            mpiexec = self.config.mpiexec
+            if 'mpiargs' in nodedct:
+                mpiexec += ' ' + nodedct['mpiargs']
+            cmd = mpiexec + ' ' + cmd.replace('python3',
+                                              self.config.parallel_python)
+            ntasks = task.resources.processes
+            cpus_per_task = task.resources.cores // ntasks
+
         name = task.cmd.short_name
@@ -40,16 +57,2 @@ sbatch = ['sbatch',
 
-        env = []
-
-        cmd = str(task.cmd)
-        if task.resources.processes > 1:
-            if 'OMP_NUM_THREADS' not in os.environ:
-                env.append(('OMP_NUM_THREADS', '1'))
-            mpiexec = self.config.mpiexec
-            if 'mpiargs' in nodedct:
-                mpiexec += ' ' + nodedct['mpiargs']
-            cmd = mpiexec + ' ' + cmd.replace('python3',
-                                              self.config.parallel_python)
-        else:
-            cmd = cmd.replace('python3', self.config.serial_python)
-
         # Use bash for the script
@@ -56,0 +59,0 @@ script = '#!/bin/bash -l\n'

PKG-INFO

 Metadata-Version: 2.1
 Name: myqueue
-Version: 24.5.0
+Version: 24.5.1
 Summary: Frontend for SLURM/LSF/PBS
@@ -5,0 +5,0 @@ Maintainer-email: Jens Jørgen Mortensen <[e-mail]>

pyproject.toml

@@ -7,3 +7,3 @@ [build-system]
 name = "myqueue"
-version = "24.5.0"
+version = "24.5.1"
 description = "Frontend for SLURM/LSF/PBS"
@@ -10,0 +10,0 @@

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Improved metrics

Total package byte prevSize

447004

0.08%

Lines of code

5978

0.03%