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The ECCE_PRINT directive allows the user to print out a file, usually called ecce.out, that will allow the calculation and its results to be imported into Ecce (see


The entry for variable is the name of the file that will contain the Ecce import information and should include the full path to the directory where you want that file. For example

ecce_print /home/user/job/ecce.out

If the full path is not given and only the file name is given, the file will be located in whatever directory the job is started in. For example, if the line

ecce_print ecce.out

is in the input file, the file could end up in the scratch directory if the user is using a batch script that copies the input file to a local scratch directory and then launches NWChem from there. If the system then automatically removes files in the scratch space at the end of the job, the ecce.out file will be lost. So, the best practice is to include the full path name for the file.