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I'm currently trying to run mopac-makpol on the first example given in the mopac 2016 manual website for Polyethylene. I invoke the following command: mopac-makpol MAKE_Polyethylene.dat and get the following error (see output below). Can someone give me advice as how to proceed. (base) anton@anton-probook:~/Documents/mopac/test$ mopac-makpol MAKE_Polyethylene.dat
At line 431 of file /home/conda/feedstock_root/build_artifacts/mopac_1671356921589/work/src/makpol/standard.F90 (unit = 5, file = 'fort.5') Error termination. Backtrace: |
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I've worked it out myself. The way the code is written I assume is for a Windows system only and forces one to use UPPERCASE characters only for the name of the input file. When I change to all uppercase mopac-makpol runs to completion. I'm checking the output but there seem to be some additional pieces of information in the .mop file that I probably can live with. The way the code treats the input filename certainly needs cleaning up - personally I would get rid of most of it and just exist gracefully if the file doesn't exist. |
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I've worked it out myself. The way the code is written I assume is for a Windows system only and forces one to use UPPERCASE characters only for the name of the input file. When I change to all uppercase mopac-makpol runs to completion. I'm checking the output but there seem to be some additional pieces of information in the .mop file that I probably can live with. The way the code treats the input filename certainly needs cleaning up - personally I would get rid of most of it and just exist gracefully if the file doesn't exist.