From NWChem
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		                        | 3:10:39 AM PST - Fri, Dec 9th 2011 |  |  
		                        | When I start my calculation with nwchem, I have forgotten the "ECCE_print" directive in the input file. But I want to get the ecce output file. Who can tell me how to solve it ? Should I only rerun my job again? |  | 
 
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                                     Bert  Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
                                    
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                            | Forum VetThreads 3 Posts 331
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		                        | 3:22:43 PM PST - Thu, Dec 22nd 2011 |  |  
		                        | Unfortunately, yes you will have to rerun the job. Depending on what you need, we have a script that can translate the vibrational modes into an ecce.out file, but anything else will require a rerun. 
 
 Bert
 
 
 
 
 Quote: Dec 9th 10:10 am When I start my calculation with nwchem, I have forgotten the "ECCE_print" directive in the input file. But I want to get the ecce output file. Who can tell me how to solve it ? Should I only rerun my job again? |  | 
 
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