@@ -88,18 +88,11 @@ def create_geometry_symlink(task, job, cluster, fileName):
8888def create_json_output (task , job , cluster ):
8989 job_dir = job_directory (cluster , job )
9090 cmds = ['cd %s' % job_dir ]
91- # TODO: this may only work for SGE queue manager. Add a call to
92- # AbstractQueueAdapter to get outfile name?
9391 outFile = '%s-%s.o%s' % (job ['name' ], os .path .basename (job_dir ), job ['queueJobId' ])
94- # TODO: replace hard-coded path to the json conversion script
9592 nwchem_cmd = 'python /opt/NWChemOutputToJson/NWChemJsonConversion.py %s\n ' % outFile
9693 cmds .append (nwchem_cmd )
9794
98- # TODO: rename the json file since conversion script just adds .json to end
99- # of current file name. So we end up with names like
100- # nwchem_run-584863a80640fd46e5ec5d54.o2783.json
10195 with get_connection (task .taskflow .girder_token , cluster ) as conn :
102- # TODO: _put_script is a 'private' function of the job module
10396 cmd = _put_script (conn , '\n ' .join (cmds ))
10497 conn .execute (cmd )
10598
@@ -150,7 +143,6 @@ def create_job(task, upstream_result):
150143 task .taskflow .logger .info ('Create NWChem job.' )
151144 input_folder_id = upstream_result ['input' ]['folder' ]['id' ]
152145
153- # TODO: setup command to run with mpi
154146 body = {
155147 'name' : 'nwchem_run' ,
156148 'commands' : [
@@ -229,7 +221,6 @@ def monitor_nwchem_job(task, upstream_result):
229221 task .throws = (Retry ,),
230222
231223 job = upstream_result ['job' ]
232- # TODO - We are currently reaching in and used a 'private' function
233224 _monitor_jobs (task , cluster , [job ], girder_token = girder_token , monitor_interval = 30 )
234225
235226 return upstream_result
@@ -241,7 +232,6 @@ def upload_output(task, upstream_result):
241232 cluster = upstream_result ['cluster' ]
242233 job = upstream_result ['job' ]
243234
244- # TODO: does this need to be a separate workflow?
245235 create_json_output (task , job , cluster )
246236
247237 client = create_girder_client (
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