Commit 3efb909f authored by bellotti_r's avatar bellotti_r
Browse files

Implemented suggestions by Jochem Snuverink

parent 6c10ad0f
...@@ -143,5 +143,5 @@ class OpalDict: ...@@ -143,5 +143,5 @@ class OpalDict:
self.dict[var] = rhs self.dict[var] = rhs
else: else:
if var.find("--") < 0: # not a regular option if var.find("--") < 0: # not a regular option
print(f'OpalDict: Key ({key}) not found cannot add to dictionary, check the OPAL template file') print(f'OpalDict: Key ({var}) not found cannot add to dictionary, check the OPAL template file')
sys.exit(1) sys.exit(1)
...@@ -40,7 +40,7 @@ class OpalRunner: ...@@ -40,7 +40,7 @@ class OpalRunner:
hyperthreading: int (optional) hyperthreading: int (optional)
Defines the number of Hyper-Threads used. Default: 0 Defines the number of Hyper-Threads used. Default: 0
quiet: bool (optional) quiet: bool (optional)
Wheather to silence output. Default: True Whether to silence output. Default: True
partition: str (optional) partition: str (optional)
SLURM partition to run the jobs in. Default: 'hourly' SLURM partition to run the jobs in. Default: 'hourly'
slurm_time: str (optional) slurm_time: str (optional)
...@@ -80,7 +80,7 @@ class OpalRunner: ...@@ -80,7 +80,7 @@ class OpalRunner:
Returns Returns
======= =======
list(str) list of str
A list containing the SLURM IDs of the enqueued jobs. A list containing the SLURM IDs of the enqueued jobs.
The jobs have just been submitted to SLURM, they have not The jobs have just been submitted to SLURM, they have not
necessarily run yet. necessarily run yet.
...@@ -120,15 +120,8 @@ class OpalRunner: ...@@ -120,15 +120,8 @@ class OpalRunner:
# commands to execute before running OPAL # commands to execute before running OPAL
pre_cmd = [ pre_cmd = [
'module use unstable', 'module use /afs/psi.ch/project/amas/modulefiles',
'module load cmake/3.9.6', 'module load opal-toolchain/master',
'module load gcc/7.3.0',
'module load gsl/2.5',
'module load openmpi/3.1.3',
'module load boost/1.68.0',
'module load hdf5/1.10.4',
'module load OpenBLAS/0.2.20',
'module load H5hut/2.0.0rc5',
] ]
pre_cmd = '\n'.join(pre_cmd) pre_cmd = '\n'.join(pre_cmd)
...@@ -166,7 +159,7 @@ class OpalRunner: ...@@ -166,7 +159,7 @@ class OpalRunner:
Returns Returns
======= =======
IDs: list(str) IDs: list of str
''' '''
IDs = self.run_configurations(design_variables) IDs = self.run_configurations(design_variables)
...@@ -199,7 +192,7 @@ class OpalRunner: ...@@ -199,7 +192,7 @@ class OpalRunner:
Parameters Parameters
========== ==========
stat_file_columns: list(str) stat_file_columns: list of str
Columns of the .stat files that are interesting Columns of the .stat files that are interesting
dvar_IDs: list dvar_IDs: list
Must be the indices of a pandas.DataFrame that was used as input Must be the indices of a pandas.DataFrame that was used as input
......
...@@ -144,9 +144,11 @@ class Simulation: ...@@ -144,9 +144,11 @@ class Simulation:
preCommand: str (optional) preCommand: str (optional)
Shell commands to prepend to the launcher in the SLURM script. Shell commands to prepend to the launcher in the SLURM script.
Needed to e. g. load modules before launching the job. Needed to e. g. load modules before launching the job.
Currently only supported for Merlin6.
postCommand: str (optional) postCommand: str (optional)
Sheel commands to append to the launcher in the SLURM script. Shell commands to append to the launcher in the SLURM script.
Useful for cleanup actions etc. Useful for cleanup actions etc.
Currently only supported for Merlin6.
''' '''
# make directory name indicating changed values # make directory name indicating changed values
self.dirname = baseFileName self.dirname = baseFileName
......
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