Eerror(s) found in CSQY data

I’m using CMAQv5.3.2, which can be run successfully with the cb6r3_ae7 _aq mechanism , but when I change to saprc07tic_ae7i_aq, the following error is reported when compiled (./bldit_cctm.csh).


And when I run the run_cctm_Bench_2016_12SE1.csh, it reports the following error.

—>> WARNING in subroutine LOAD_CSQY_DATA on PE 008
WARNING: JTABLE mechanism is for SAPRC07TIC_AE7I_AQ but gas chemistry name is CB6R3_AE7_AQ
—>> WARNING in subroutine LOAD_CSQY_DATA on PE 008
FATAL ERROR: photolysis reaction NO2_IUPAC10 not found in the reference data!
—>> WARNING in subroutine LOAD_CSQY_DATA on PE 008
FATAL ERROR: photolysis reaction O3_O3P_IUPAC10 not found in the reference data!

 >>--->> WARNING in subroutine LOAD_CSQY_DATA on PE 008
 FATAL ERROR: photolysis reaction O3_O1D_IUPAC10 not found in the reference data!
 >>--->> WARNING in subroutine LOAD_CSQY_DATA on PE 008
 FATAL ERROR: photolysis reaction H2O2_IUPAC10 not found in the reference data!
 >>--->> WARNING in subroutine LOAD_CSQY_DATA on PE 008
 FATAL ERROR: photolysis reaction NO3NO2_06 not found in the reference data!

It looks like you had an unsuccessful build for the saprc mechanism. Please delete the BLD directory and then try to rebuild and send us additional information about the build error.

Thank you very much for your reply. I have successfully run bldit_cctm.csh and rebuild a new BLD file, but when running run_cctm_Bench_2016_12SE1.csh, I still have the same error message.
run_cctm_Bench_2016_PKUsa27KM.csh.txt (35.2 KB)
CTM_LOG_008.v532_intel_202401_20231226.txt (75.9 KB)


CSQY_DATA_saprc07tic_ae7i_aq.txt (64.3 KB)

Thank you for providing this additional information.

Could you please also post the .cfg and RXNS_DATA_MODULE.F90 files from your BLD directory as well as the full log file when running the bldit_cctm.csh script to build the SAPRC executable? As shown in the header of the bldit_cctm.csh script, you can capture the full log by redirecting the screen output as in bldit_cctm.csh <compiler> >&! bldit.cctm.log

Thank you very much for your help.You can find the relevant files in the attachment below.
CCTM_v532.cfg.txt (3.6 KB)
bldit_cctm.log.txt (97.3 KB)
RXNS_DATA_MODULE.F90.txt (795.1 KB)

Thank you for posting these files. Your bldit_cctm.log file shows no evidence that a new executable with the saprc07tic_ae7i_aq mechanism was successfully compiled. It also does not show the error message you had included in your first post.

Before running the bldit script, did you make sure to remove the entire existing BLD directory as advised by @lizadams above? This step is critical when changing science options such as the chemical mechanism in the bldit script and then running it again after a previous successful build. The log file from your second post indicates that you were running the existing CCTM executable from your original cb6r3_ae7_aq build in the existing BLD directory (not deleted before running bldit again for saprc07tic_ae7i_aq), and that cb6r3_ae7_aq executable then failed when the run script provided it with the saprc07tic_ae7i_aq input files (specifically the saprc07tic_ae7i_aq CSQY data file).

Thank you very much for your help! The last time I deleted the BLD directory, I first recompiled cb6r3_ae7_aq, and then compiled saprc07tic_ae7i_aq. Now I deleted the BLD directory again, and then compiled only saprc07, and it runs fine now!