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libAtoms
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ExPyRe
Execute Python Remotely
GNU General Public License v2.0
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setup.py -> pyproject.toml
#39
bernstei
closed
4 months ago
0
Add yml file for pypi workflow
#38
hheenen
closed
4 months ago
0
xpr cli commands to manually manipulate jobs
#37
bernstei
closed
5 months ago
0
Add reset_status cli command
#36
bernstei
closed
5 months ago
0
more versatile handling of selected partition/queue to queuing system header line
#35
bernstei
closed
6 months ago
0
changing handling of shells
#34
bernstei
closed
8 months ago
2
Don't pass '-l' to bash
#33
bernstei
closed
9 months ago
0
Enable running jobs in rundir even if host = None
#32
bernstei
closed
9 months ago
0
rundir in config.json
#31
jungsdao
closed
9 months ago
18
Use dill to pickle if available
#30
bernstei
closed
1 year ago
0
fix exception raised when remote job python process is killed w/o an exception
#29
bernstei
closed
1 year ago
0
ExPyRe on PyPi
#28
gelzinyte
opened
1 year ago
0
improve stdout/stderr echoing in case of error
#27
bernstei
closed
1 year ago
0
Print stdout and stderr for job failed without an exception
#26
bernstei
closed
1 year ago
0
easier job resubmit
#25
bernstei
closed
1 year ago
0
use EXPYRE_HEADER_EXTRA
#24
bernstei
closed
2 years ago
0
stop relying on remote job id
#23
bernstei
opened
2 years ago
0
Quantum Espresso Geometry Optimization Error Code 3
#22
ghost
opened
2 years ago
18
updated main readme
#21
gabor1
closed
2 years ago
1
Review error handling
#20
gelzinyte
opened
2 years ago
0
Example of a DFT job
#19
gelzinyte
opened
2 years ago
0
Update docs to new dict key and env var names
#18
bernstei
closed
2 years ago
3
Implement comments for no_tasks PR #14
#17
bernstei
closed
2 years ago
3
slurm in github CI for more complete tests
#16
bernstei
closed
2 years ago
4
Fix unit tests run on GitHub
#15
gelzinyte
closed
2 years ago
0
Remove tasks from ExPyRe, only cores and nodes
#14
bernstei
closed
2 years ago
1
Allow per-partition override of partition name and additional header fields
#13
bernstei
closed
2 years ago
0
combining multiple job starts
#12
bernstei
opened
2 years ago
5
more flexibility in queued job batch files
#11
bernstei
opened
2 years ago
0
Improve handling of failures of remote jobs
#10
bernstei
closed
2 years ago
0
speculative job submission
#9
bernstei
opened
2 years ago
0
make memory information available in System.header
#8
bernstei
opened
2 years ago
1
get queuing system header from more places
#7
bernstei
closed
2 years ago
3
specifying additional header lines in remoteinfo files
#6
WillBaldwin0
closed
2 years ago
6
Speed up gathering of results for multiple jobs from a remote machine
#5
bernstei
closed
2 years ago
3
Docs
#4
gelzinyte
closed
2 years ago
13
[WIP] run in stage directory when "remote" machine is local
#3
bernstei
closed
2 years ago
13
Make it possible to sync remote job results from command line, without having to rerun workflow
#2
bernstei
closed
2 years ago
1
automated tests in CI
#1
bernstei
closed
2 years ago
1