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No JSON validation files in mp2grd-mpiomp and ricc-mpiomp test sets #35

Open ivr900 opened 3 years ago

ivr900 commented 3 years ago

It would be nice if the JSON validation files were added to mp2grd-mpiomp and ricc-mpiomp test sets.The present public GAMESS distribution (2020-R2) has none of them. This make validation of created GAMESS binaries impossible in part of the MPI-OMP functionality in MP2 gradient and RI-CC calculations.

Ivan Rostov NCI Australia, Canberra

saromleang commented 3 years ago

For ri-cc, there are log files available to compare to within the respective test folder.

We are in the process of creating a new parse group for ri-cc. Automated validation tends to trail new feature implementations.

ivr900 commented 3 years ago

Hi Sarom,

it would be nice if the json files were provided for ricc-mpiomp and rimp2grd-mpiomp tests in the upcoming 2021-R1 GAMESS release. If all other people busy with other things, I can add the ones parsed after my runs of the testsuite.

Regards, Ivan

saromleang commented 3 years ago

All testsuite updates since Sept 30, 2020 R2 will be made available in June 30, 2021 R1.

saromleang commented 2 years ago

@ivr900 please check the latest public release to see if this issue has been resolved.