New prepend text

aiidaplugins · Dec 21, 2023 · 629882d · 629882d
1 parent faa9290
commit 629882d
Show file tree

Hide file tree

Showing 3 changed files with 13 additions and 0 deletions.
diff --git a/aiida_flexpart/calculations/flexpart_cosmo.py b/aiida_flexpart/calculations/flexpart_cosmo.py
@@ -33,6 +33,7 @@ def define(cls, spec):
         }
 
         spec.input('metadata.options.max_wallclock_seconds', valid_type=int, default=1800)
+        spec.input('metadata.options.prepend_text', valid_type=str, default='')
         spec.input('metadata.options.parser_name', valid_type=str, default='flexpart.cosmo')
 
         # new ports

diff --git a/aiida_flexpart/calculations/flexpart_ifs.py b/aiida_flexpart/calculations/flexpart_ifs.py
@@ -29,6 +29,7 @@ def define(cls, spec):
         }
 
         spec.input('metadata.options.max_wallclock_seconds', valid_type=int, default=1800)
+        spec.input('metadata.options.prepend_text', valid_type=str, default='')
         spec.input('metadata.options.parser_name', valid_type=str, default='flexpart.ifs')
 
         spec.input(

diff --git a/examples/example_workflow_combi.py b/examples/example_workflow_combi.py
@@ -193,10 +193,21 @@ def test_run(flexpart_code):
         'stash_mode': common.StashMode.COPY.value,
     }
 
+    prepend_text_ = """#SBATCH --partition=normal
+    #SBATCH --account=em05
+    #SBATCH --constraint=mc
+    export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK:-1}
+    source $MODULESHOME/init/bash
+    ulimit -s unlimited
+    """
+
     #change wall time for cosmo and ifs in seconds
     builder.flexpartcosmo.metadata.options.max_wallclock_seconds = 1800
     #builder.flexpartifs.metadata.options.max_wallclock_seconds = 2700
 
+    builder.flexpartcosmo.metadata.options.prepend_text = prepend_text_
+    builder.flexpartifs.metadata.options.prepend_text = prepend_text_
+
     engine.run(builder)