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Add shifter capability to the cctbx.xfel GUI #526

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Thanks to the help (and patience) of @asmit3 I was able to add the ability to submit shifter jobs (using slurm) on NERSC's systems. This is in anticipation of the upcoming data collection at LCLS. I was able to test this on Cori, using a limited data set provided by @asmit3. Further tests to follow.

This PR adds a "shifter" option to the cctbx.xfel gui -- this is really just slurm but with a few more bells and whistles.

I am currently tracking down why the GUI is laggy when running through nx.

@JBlaschke JBlaschke requested a review from phyy-nx September 7, 2020 01:17
@JBlaschke
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@bkpoon -- I implemented those typos you pointed out on hangouts.

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Some minor tweaks requested. Also, are the libtbx queuing system changes needed? I don't think the XFEL submission system goes through libtbx.easy_mp except for local model.

@@ -266,7 +266,8 @@ def get_submission_id(result, method):
submission_id = "".join(result.stdout_lines).strip()
print(submission_id)
return submission_id
elif method == 'slurm':
elif method == 'slurm' or method == "shifter":
# Assumign that all shifter instances are running on NERSC (slurm) systems
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Typo: Assumign -> Assuming

self.params.mp.env_script = [self.env_script.ctr.GetValue()]
self.params.mp.nproc = int(self.nproc.ctr.GetValue())
if self.mp_option.ctr.GetStringSelection() == 'shifter':
print("follows a")
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Needed print?

self.params.mp.shifter.sbatch_script_template = self.shifter_sbatch_template.ctr.GetValue() \
if len(self.shifter_sbatch_template.ctr.GetValue()) > 0 else None

print ("asdasdfsd: " + self.params.mp.shifter.sbatch_script_template)
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Needed print?

xfel/util/mp.py Outdated
def customize_for_method(self):
# template for sbatch.sh
self.sbatch_template = self.params.shifter.sbatch_script_template
print(self.params.shifter.sbatch_script_template)
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Needed print?

sb.write(self.sbatch_contents)
sb.write("\n")
sb.close()
print(self.sbatch_path)
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Needed print?

sr.write(self.srun_contents)
sr.write("\n")
sr.close()
print(self.srun_path)
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Needed print?

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2 participants