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Article ID: 1473 - Last Modified: August 15, 2014

My job has failed, and I need help figuring out what went wrong. What should I do?

You should run the postmortem utility, and send the output to Technical Support. This utility produces an archive that contains most of the information needed to help Technical Support to diagnose the problem. The archive contains the current environment, a list of installed Schrödinger software packages, the schrodinger.hosts file, the queue support scripts, the license file, and information such as input and output for the selected jobs. If you use the option to include structures, the structure files for the job, both input and output, are included in the archive. As the archive could contain confidential information, you should select the options that remove this information if this is a concern, and you should check the output before you send it.

From Suite 2011 on, this utility is available from the Monitor panel in Maestro. See below for instructions if you can't use Maestro.

  1. Choose Show → All jobs, so you can see all your jobs in the jobs table.
  2. Select the job that failed in the jobs table, then click Postmortem.
  3. Select "Include structures" if you want to send structures.
  4. Click Create.
  5. Note the location of the postmortem output file in the dialog box that opens. On Windows and Mac it should be in the Schrodinger folder in your Documents folder.

See the help topic for the Monitor panel for more information.

Once you have this archive, you can submit a support ticket via the web form at https://www.schrodinger.com/supportcenter, and attach the archive file. If it is larger than 1GB, you will have to upload it to the FTP site—see the instructions below.

If you have already submitted a ticket, you can use the URL on the email message from Technical Support to attach the postmortem file to the ticket.

If you do not have access to the web form and the archive is small enough, you can attach it to an email message rather than uploading it.

Creating the postmortem from the command line

If for some reason you can't use Maestro to generate the archive, you can run the postmortem utility from the command line on Linux or Mac OS X, with the command

$SCHRODINGER/utilities/postmortem options jobid

You can also run the postmortem utility from the command line on Windows from Suite 2011 on, by opening a Schrodinger Command Prompt window (Start → All Programs → Schrodinger-release → Schrodinger Command Prompt), and then entering the command

postmortem options jobid

As the archive could contain confidential information, you should select the options that remove this information if this is a concern, and you should check the output before you send it. Run postmortem −h to see what options are available.

The archive should have a .zip extension (2014-3 release on) or .tarball extension (2014-2 and earlier), and should be in the current directory on Linux or Mac, or on the desktop on Windows.

Uploading the file to the FTP site

If the postmortem archive is larger than 1GB, you will have to upload it to the FTP site rather than attach it to the form. The FTP site is located at

ftp.schrodinger.com/incoming/

You can use an FTP client like FileZilla or WinSCP if you wish. If prompted, the user name is 'anonymous' and the password is your email address. Once you are connected to the FTP site, make sure that you change to the incoming directory (folder), otherwise you will not be able to upload your file.

When the upload is complete, please send email to help@schrodinger.com requesting assistance, and including the name of the uploaded file. You will not be able to see the file on the upload site, so you should rely on your FTP client's messages to indicate that the upload was successful. If the upload was not successful, we will let you know and you can try uploading the file again.

Related Articles:

#1692: How do I collect diagnostic information on my installation and send it to technical support?

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