Overwriting outputs - Githubissues

SPARC-X / SPARC-X-API

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Overwriting outputs #42

Closed ltimmerman3 closed 8 months ago

ltimmerman3 commented 8 months ago

Describe the bug Running multiple calculations in the same directory (sequentially) results in output files being overwritten

To Reproduce Simply generate a python file that iteratively relaxes. In my case, I am relaxing a structure at different computational parameters sequentially. The output from the subsequent relaxations overwrites previous outputs rather than appending as in "SPARC.out SPARC.out_01"

ltimmerman3 commented 8 months ago

Seems related: Report files generated via the slurm scheduler also appear to be getting deleted whenever a run is triggered.