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isi-usc-edu / qb-gsee-benchmark

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6/8 catalysis instances #7

Closed jp7745 closed 1 week ago

jp7745 commented 3 weeks ago

track down the missing 2 catalysis JSON instances and verify corresponding FCIDUMP files are in the SFTP server.

bellonzi commented 1 week ago

To-do:

jp7745 commented 1 week ago

are they in the old Zapata git history?

also check the /json_files_with_errors directory. There is a fe_red and ru_macho in there that didn't pass JSON validation.

bellonzi commented 1 week ago

Okay, those are the missing ones. I'll investigate why they aren't passing. I also downloaded the old ones from your deprecated problem instances repo because that's the last time I had seen them.

bellonzi commented 1 week ago

No worries @aakunitsa - I've already cleaned up the jsons in qb-gsee-benchmark/tree/7-68-catalysis-instances. I just need to check the sftp server and I'll PR into main

jtcantin commented 1 week ago

These catalyst problem instances have been updated to the latest schema and incorporated into branch jtcantin-problem_instance_updates at commit 891e08891096a25b0e817f01a0b0c792af95b4a4. Closed related pull request.

@bellonzi Just to confirm, are the Hamiltonians on the sftp server?

bellonzi commented 1 week ago

Yes, they are and your copies of fe_red and ru_macho have the correct addresses.