Rajesh D. Parmar

It will be really good if we can solve this problem. I realized that if I use conversion criteria 0.9999 then I get around 3999 core reaction but reaction time...

Hi, Even after "make clean" and "make" process. I got similar error... The file location rajesh@pharos:~/Rajesh/New_jobs_after_Aug_11/MultiT_PM3_pdep_Prun_15000_multiple_concentration_single_presssure_conversion$ Error Message: Created new reverse Alkene_to_1,2-birad reaction: C4H8O(4552) --> C4H8OJJ(5231) Solving PDepNetwork #344 (propanal)...

Hi Richard, Even after updating (i.e. falling back to modified strong collision) one of my job failed. Please find the folder location and error message as below Folder location: rajesh@pharos:~/Rajesh/New_jobs_after_Aug_11/MultiT_PM3_pdep_Prun_15000_single_concentration_single_presssure_O2_C_0.15_conversion_restarted_afterupdate$...

Please find the log file in the following directory on the server rajesh@pharos:~/Rajesh/New_jobs/MultiT_pdep_Prun_15000_single_concentration

Other job also failed due to similar error. Please find the folder for the job as follows: rajesh@pharos:~/Rajesh/New_jobs/MultiT_pdep_Prun_15000$

Third job also filed due to similar error. Please find the folder for the job in: rajesh@pharos:~/Rajesh/New_jobs/MultiT_pdep_Prun_15000_Reduced$ Pruning... Removed path reverse SPC(45087)=SPC(77812) from 0 dictionaries Removed path reverse SPC(45087)=SPC(52449) from...

another job also failed folder: ~/Rajesh/New_jobs/MultiT_PM3_pdep_Prun_15000_single_concentration$ Error Pruning... Removed path reverse SPC(6922)=SPC(41457) from 0 dictionaries Removed path reverse SPC(6922)=SPC(41459) from 0 dictionaries Removed path reverse SPC(6922)=SPC(41461) from 0 dictionaries ERROR:...

After updating on June 28, I am getting same error when PM3 and pdep is ON. Two of my jobs failed due to same error. Folder location ~/Rajesh/New_jobs/New_jobs_after_June_28/MultiT_PM3_pdep_Prun_1000_single_concentration$ ~/Rajesh/New_jobs/New_jobs_after_June_28/MultiT_PM3_pdep_Prun_500_single_concentration$