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Article ID: 1273 - Last Modified:

I start a MacroModel computation from Maestro, but nothing seems to happen. The command file (.com) and input structure file (.mae) are written to the current working directory, but there is no log (.log) file, and all of the MacroModel jobs fail. What's going wrong?

The most likely cause is that the temporary file directory is not correctly specified in the schrodinger.hosts file for the machine you ran the job on. In the schrodinger.hosts file being used, please make sure that:

  1. There is a tmpdir: setting for the machine that specifies a temporary directory
  2. The directory exists for that machine, and
  3. That it is user-writable.

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