Error: [Unphysical field variables detected]

Error report

Hello @jeff.dietiker @cgw ! Thank you for answering my previous question.
Recently I’ve been working on a different project, a simulation for an oxidation process (heterogeneous). I’ve set the related parameters for the simulation and been testing the simulation stability out of curiosity. (You can see it in my usr_rates_des.f) Not surprisingly, the simulation stability is dependent on the chemical reaction rate (I suspect the unit is in kmol/s). I found out that the simulation runs without any issue when it’s 1e-8, but when it’s 1e-5 for example, it shows the below error after a certain time:

DEM NITs: 3   Total PIP: 8057
    NITs/SEC = 610.4
Fatal Error: Unphysical field variables detected.
     I      J      K
     2      2      1      DIF_G(1) =  -0.1766E-04 <   0.000
     2      2      1      DIF_G(2) =  -0.1766E-04 <   0.000
     2      2      1      DIF_G(3) =  -0.1766E-04 <   0.000
     2      2      1      DIF_G(4) =  -0.1766E-04 <   0.000
     3      2      1      DIF_G(1) =  -0.1759E-04 <   0.000
     3      2      1      DIF_G(2) =  -0.1759E-04 <   0.000
     3      2      1      DIF_G(3) =  -0.1759E-04 <   0.000
     3      2      1      DIF_G(4) =  -0.1759E-04 <   0.000
     4      2      1      DIF_G(1) =  -0.1744E-04 <   0.000
     4      2      1      DIF_G(2) =  -0.1744E-04 <   0.000
     4      2      1      DIF_G(3) =  -0.1744E-04 <   0.000
     4      2      1      DIF_G(4) =  -0.1744E-04 <   0.000
     5      2      1      DIF_G(1) =  -0.1722E-04 <   0.000
     5      2      1      DIF_G(2) =  -0.1722E-04 <   0.000
     5      2      1      DIF_G(3) =  -0.1722E-04 <   0.000
     5      2      1      DIF_G(4) =  -0.1722E-04 <   0.000
     6      2      1      DIF_G(1) =  -0.1693E-04 <   0.000
     6      2      1      DIF_G(2) =  -0.1693E-04 <   0.000
     6      2      1      DIF_G(3) =  -0.1693E-04 <   0.000
     6      2      1      DIF_G(4) =  -0.1693E-04 <   0.000
Unphysical field variables detected on one or more processes.

Error termination. Backtrace:
#0  0x7f23df0e5d21 in ???
#1  0x7f23df0e6869 in ???
#2  0x7f23df0e8002 in ???
#3  0x55e4ef173278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7f623854cd21 in ???
#1  0x7f623854d869 in ???
#2  0x7f623854f002 in ???
#3  0x55f80cdfb278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#4  0x55f80cdf9f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#0  0x7fd1ce3c5d21 in ???
#1  0x7fd1ce3c6869 in ???
#2  0x7fd1ce3c8002 in ???
#3  0x565489fe5278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7f3cfe0ffd21 in ???
#1  0x7f3cfe100869 in ???
#2  0x7f3cfe102002 in ???
#3  0x55b1337d5278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7fa710de9d21 in ???
#1  0x7fa710dea869 in ???
#2  0x7fa710dec002 in ???
#3  0x55f8409d3278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7f95077fcd21 in ???
#1  0x7f95077fd869 in ???
#2  0x7f95077ff002 in ???
#3  0x55705b544278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7f6c00cf4d21 in ???
#1  0x7f6c00cf5869 in ???
#2  0x7f6c00cf7002 in ???
#3  0x5644fda75278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#4  0x55e4ef171f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#0  0x7f169d715d21 in ???
#1  0x7f169d716869 in ???
#2  0x7f169d718002 in ???
#3  0x563b90139278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#4  0x563b90137f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#0  0x7f438bbadd21 in ???
#1  0x7f438bbae869 in ???
#2  0x7f438bbb0002 in ???
#3  0x55b9902f1278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#0  0x7f6f2d2c3d21 in ???
#1  0x7f6f2d2c4869 in ???
#2  0x7f6f2d2c6002 in ???
#3  0x55a4b14d5278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#5  0x55f80ce5533e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55f80ce56703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55f80ce0ca0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#4  0x565489fe3f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#4  0x55b1337d3f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#5  0x55b13382f33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55b133830703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#4  0x55f8409d1f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#4  0x55705b542f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#4  0x5644fda73f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#5  0x5644fdacf33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#5  0x55e4ef1cd33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55e4ef1ce703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55e4ef184a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#5  0x563b9019333e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x563b90194703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#4  0x55b9902eff15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#4  0x55a4b14d3f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#5  0x56548a03f33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x56548a040703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55b1337e6a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#5  0x55f840a2d33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55f840a2e703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55f8409e4a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#5  0x55705b59e33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55705b59f703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55705b555a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#6  0x5644fdad0703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x5644fda86a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#7  0x563b9014aa0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#5  0x55b99034b33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55b99034c703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55b990302a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#8  0x55b9902f6840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55b9902f6840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55b9902f6f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55b9902846c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x55f80ce00840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55f80ce00840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55f80ce00f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55f80cd8e6c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#5  0x55a4b152f33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55a4b1530703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55a4b14e6a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#8  0x55a4b14da840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55a4b14da840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55a4b14daf66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55a4b14686c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#0  0x7fde8bd14d21 in ???
#1  0x7fde8bd15869 in ???
#2  0x7fde8bd17002 in ???
#3  0x555a51786278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#4  0x555a51784f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#7  0x565489ff6a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#8  0x565489fea840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x565489fea840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x565489feaf66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x565489f786c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x55b1337da840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55b1337da840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55b1337daf66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55b1337686c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x55f8409d8840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55f8409d8840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55f8409d8f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55f8409666c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x55705b549840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55705b549840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55705b549f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55705b4d76c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x55e4ef178840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55e4ef178840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55e4ef178f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55e4ef1066c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x5644fda7a840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x5644fda7a840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x5644fda7af66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x5644fda086c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#8  0x563b9013e840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x563b9013e840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x563b9013ef66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x563b900cc6c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#5  0x555a517e033e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x555a517e1703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x555a51797a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#8  0x555a5178b840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x555a5178b840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x555a5178bf66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x555a517196c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#0  0x7feb347e9d21 in ???
#1  0x7feb347ea869 in ???
#2  0x7feb347ec002 in ???
#3  0x564b9a759278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#4  0x564b9a757f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#0  0x7f37b0fbcd21 in ???
#1  0x7f37b0fbd869 in ???
#2  0x7f37b0fbf002 in ???
#3  0x556055168278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#5  0x564b9a7b333e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x564b9a7b4703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x564b9a76aa0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#4  0x556055166f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#0  0x7fac9e1dad21 in ???
#1  0x7fac9e1db869 in ???
#2  0x7fac9e1dd002 in ???
#8  0x564b9a75e840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x564b9a75e840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x564b9a75ef66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x564b9a6ec6c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#3  0x5632aa623278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#5  0x5560551c233e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x5560551c3703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#0  0x7f80dc7c5d21 in ???
#1  0x7f80dc7c6869 in ???
#2  0x7f80dc7c8002 in ???
#4  0x5632aa621f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#3  0x55cc4a984278 in __exit_MOD_mfix_exit
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/exit.f:69
#7  0x556055179a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#4  0x55cc4a982f15 in __error_manager_MOD_log_message
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/error_manager_mod.f:277
#8  0x55605516d840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55605516d840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55605516df66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x5560550fb6c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
#5  0x5632aa67d33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x5632aa67e703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x5632aa634a0b in __step_MOD_time_step_init
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#5  0x55cc4a9de33e in __check_data_30_mod_MOD_check_physical_bounds
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:300
#6  0x55cc4a9df703 in __check_data_30_mod_MOD_check_data_30
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/check_data_30.f:49
#7  0x55cc4a995a0b in __step_MOD_time_step_init
#8  0x5632aa628840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x5632aa628840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x5632aa628f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x5632aa5b66c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/time_step.f:106
#8  0x55cc4a989840 in run_fluid
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:182
#9  0x55cc4a989840 in run_mfix_
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:141
#10  0x55cc4a989f66 in mfix
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:297
#11  0x55cc4a9176c2 in main
	at /home/jinny/anaconda3/envs/mfix-22.3/share/mfix/src/model/mfix.f:268
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:


Oxidation.zip (1.7 MB)

Also, when the reaction rate is 1e-3, the simulation reports segmentation error.

My case file is here:

Question 1) From your experience, what parameters do you think might have influenced this result? It’s shameful but I don’t understand the error message :frowning:

Question 2) Do you have any advice on managing simulation stability for CFD-DEM simulations with chemical reactions? What schemes (or, settings) do you usually recommend to prevent such divergence?

Please help me enlighten myself. I really want to do better on this job.

Jinny

  1. There is no shame in not understanding an error message. Here it says the diffusivity DIF_G becomes negative, which is not physical. My guess is your reaction rate is too large. You could be generating large amount of H2 which destabilizes the solution. You should know before you run the simulation what reaction rate you expect.

  2. First, when you troubleshoot, save the data at a high frequency so you can visualize the flow field and relevant variables. For DEM, you should always save the diameter in the vtk file so the GUI can properly scale particles when visualizing the results. Here you should use ideal gas law for density, and then turn on the stiff chemistry solver.