Add shifter capability to the cctbx.xfel GUI #526
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@bkpoon -- I implemented those typos you pointed out on hangouts. |
phyy-nx
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Sep 8, 2020
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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.
| return submission_id | ||
| elif method == 'slurm': | ||
| elif method == 'slurm' or method == "shifter": | ||
| # Assumign that all shifter instances are running on NERSC (slurm) systems |
| 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") |
| self.params.mp.shifter.sbatch_script_template = self.shifter_sbatch_template.ctr.GetValue() \ | ||
| if len(self.shifter_sbatch_template.ctr.GetValue()) > 0 else None | ||
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||
| print ("asdasdfsd: " + self.params.mp.shifter.sbatch_script_template) |
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Outdated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) |
| sb.write(self.sbatch_contents) | ||
| sb.write("\n") | ||
| sb.close() | ||
| print(self.sbatch_path) |
| sr.write(self.srun_contents) | ||
| sr.write("\n") | ||
| sr.close() | ||
| print(self.srun_path) |
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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.xfelgui -- 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.