|Posted on Wednesday, September 12, 2001 - 12:01 am: |
I have just installed WebMO 3.1 and it works fine with Gaussian (G98) and Gamess. However with Mopac it just fails to run. I have Mopac93. I downloaded mopac7 and tried that. It gives the same result.
It reports "Failed" in a time of 0 sec. If I click on Raw Output it gives
Cannot open file /u/web/webmo/caut/13/output.out: No such file or directory in line 68 of text_dump.cgi
It reports that in /u/web/webmo/logs. The directory ..../caut/13 has all the input files but no output files. The file input.dat can be copied elsewhere and runs with mopac fine.
What should I look for? I have tried everything I can think of.
WebMO is a great product.
|Posted on Wednesday, September 12, 2001 - 7:08 pm: |
Since no output file exist in the directory, it is likely that mopac 7/93 are not every actually being executed. This leads me to believe that the path to the mopac executables have not been properly setup in the WebMO administration.
It is also possible that the particular mopac distribution you are using is not immediately compatible with WebMO. Because most versions of mopac are public domain, many variants exist. WebMO supports mopac distributions that specify the input/output files either on STDIN/STDOUT, through environmental variables, or on the command line. Take a look at run_mopac.cgi for further information.