Update integration test scripts to run on WashU Compute1 cluster

[yantosca]

Name and Institution (Required)

Name: Bob Yantosca
Institution: Harvard + GCST

Confirm you have reviewed the following documentation

• Contributing guidelines

Describe the update

This update adds some fixes into the integration test scripts (for both GEOS-Chem and GCClassic) so that they can run on the WashU Compute1 cluster. Namely:

• Change permission of the $itRoot/scriptsDir folder from 644 to 755
• Change permission (recursively) of $runAbsPath run directory from 644 to 755
• If using the LSF scheduler, do not stop with error if an environment file is not specified (because Compute1 uses containers, there is no need for environment files)
• Replaced tabs with spaces
• Updated comments, and added TODO comments

Expected changes

This will be a zero-diff update w/r/t benchmark simulations. It only affects the integration test scripts.

Reference(s)

N/A

Related Github Issue(s)

Builds upon the following PRs:

• Run directory updates for integration tests #1794
• Update symbolic link from GCClassic root folder to the test folder GCClassic#41
• Update symbolic link from GCHP root folder to the test folder GCHP#327

[yantosca]

Integration tests are now running

[yantosca]

Integration tests are now running.

[yantosca]

All GEOS-Chem Classic integration tests passed (except for TOMAS, which is a known issue):

==============================================================================
GEOS-Chem Classic: Execution Test Results

GCClassic #c6ba251 GEOS-Chem submod update: Merge PR #1951 and PR #1917
GEOS-Chem #34bbd82b8 Merge PR #1957 (Update integration tests for WashU cluster)
HEMCO     #daf54d0 Merge PR #235 (Bug fix for vertical regridding)

Using 24 OpenMP threads
Number of execution tests: 26

Submitted as SLURM job: 1852374
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gc_05x0625_NA_47L_merra2_CH4........................Execute Simulation....PASS
gc_05x0625_NA_47L_merra2_fullchem...................Execute Simulation....PASS
gc_4x5_47L_merra2_fullchem..........................Execute Simulation....PASS
gc_4x5_47L_merra2_fullchem_TOMAS15..................Execute Simulation....FAIL
gc_4x5_47L_merra2_fullchem_TOMAS40..................Execute Simulation....FAIL
gc_4x5_merra2_aerosol...............................Execute Simulation....PASS
gc_4x5_merra2_carbon................................Execute Simulation....PASS
gc_4x5_merra2_CH4...................................Execute Simulation....PASS
gc_4x5_merra2_CO2...................................Execute Simulation....PASS
gc_4x5_merra2_fullchem..............................Execute Simulation....PASS
gc_4x5_merra2_fullchem_aciduptake...................Execute Simulation....PASS
gc_4x5_merra2_fullchem_APM..........................Execute Simulation....PASS
gc_4x5_merra2_fullchem_benchmark....................Execute Simulation....PASS
gc_4x5_merra2_fullchem_complexSOA...................Execute Simulation....PASS
gc_4x5_merra2_fullchem_complexSOA_SVPOA.............Execute Simulation....PASS
gc_4x5_merra2_fullchem_LuoWd........................Execute Simulation....PASS
gc_4x5_merra2_fullchem_marinePOA....................Execute Simulation....PASS
gc_4x5_merra2_fullchem_RRTMG........................Execute Simulation....PASS
gc_4x5_merra2_Hg....................................Execute Simulation....PASS
gc_4x5_merra2_metals................................Execute Simulation....PASS
gc_4x5_merra2_POPs_BaP..............................Execute Simulation....PASS
gc_4x5_merra2_tagCH4................................Execute Simulation....PASS
gc_4x5_merra2_tagCO.................................Execute Simulation....PASS
gc_4x5_merra2_tagO3.................................Execute Simulation....PASS
gc_4x5_merra2_TransportTracers......................Execute Simulation....PASS
gc_4x5_merra2_TransportTracers_LuoWd................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 24
Execution tests failed: 2
Execution tests not yet completed: 0

Furthermore, all integration tests were zero-diff w/r/t the prior integration test (PR #1917 + PR #1951), except for the usual suspects (APM, TOMAS, RRTMG diagnostics):

Checking gc_05x0625_NA_47L_merra2_CH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_05x0625_NA_47L_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem_TOMAS15
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_47L_merra2_fullchem_TOMAS40
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_aerosol
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_carbon
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_CH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_CO2
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_aciduptake
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_APM
   -> 1 difference found in OutputDir
      * GCC_r23/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.SpeciesConc.20190701_0000z.nc4 
        GCC_r24/rundirs/gc_4x5_merra2_fullchem_APM/OutputDir/GEOSChem.SpeciesConc.20190701_0000z.nc4 
   -> 1 difference found in Restarts
      * GCC_r23/rundirs/gc_4x5_merra2_fullchem_APM/Restarts/GEOSChem.Restart.20190701_0100z.nc4 
        GCC_r24/rundirs/gc_4x5_merra2_fullchem_APM/Restarts/GEOSChem.Restart.20190701_0100z.nc4 

Checking gc_4x5_merra2_fullchem_benchmark
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_complexSOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_complexSOA_SVPOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_LuoWd
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_marinePOA
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_fullchem_RRTMG
   -> 1 difference found in OutputDir
      * GCC_r23/rundirs/gc_4x5_merra2_fullchem_RRTMG/OutputDir/GEOSChem.RRTMG.20190701_0000z.nc4 
        GCC_r24/rundirs/gc_4x5_merra2_fullchem_RRTMG/OutputDir/GEOSChem.RRTMG.20190701_0000z.nc4 
   -> No differences in Restarts

Checking gc_4x5_merra2_Hg
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_metals
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_POPs_BaP
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagCH4
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagCO
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagO3
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_TransportTracers
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_TransportTracers_LuoWd
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gc_4x5_merra2_tagCO
   -> No differences in OutputDir
   -> No differences in Restarts

[yantosca]

All GCHP execution tests passed:

==============================================================================
GCHP: Execution Test Results

GCClassic #632ebd6 GEOS-Chem submod update: Merge PR #1951 and PR #1917
GEOS-Chem #34bbd82b8 Merge PR #1957 (Update integration tests for WashU cluster)
HEMCO     #daf54d0 Merge PR #235 (Bug fix for vertical regridding)

Number of execution tests: 5

Submitted as SLURM job: 1865321
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_merra2_fullchem................................Execute Simulation....PASS
gchp_merra2_fullchem_benchmark......................Execute Simulation....PASS
gchp_merra2_fullchem_RRTMG..........................Execute Simulation....PASS
gchp_merra2_tagO3...................................Execute Simulation....PASS
gchp_merra2_TransportTracers........................Execute Simulation....PASS
 
Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 5
Execution tests failed: 0
Execution tests not yet completed: 0

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Furthermore, all GCHP integration tests were zero-diff w/r/t the prior integration test (PR #1917 and PR #1951):

Checking gchp_merra2_fullchem
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_fullchem_benchmark
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_fullchem_RRTMG
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_tagO3
   -> No differences in OutputDir
   -> No differences in Restarts

Checking gchp_merra2_TransportTracers
   -> No differences in OutputDir
   -> No differences in Restarts