GAMESS Troubleshooting

The idea here is to build up a list of common problems and solutions for running GAMESS.

Error 1

Example 1

Error 2

Example 2

SHMALL & SHMAX

Especially if you are running GAMESS locally, as on a laptop or desktop machine, you might encounter this:

DDI Process 0: shmget returned an error.
Error EINVAL: Attempting to create 160525768 bytes of shared memory.
Check system limits on the size of SysV shared memory segments.

The file ~/gamess/ddi/readme.ddi contains information on how to display
the current SystemV memory settings, and how to increase their sizes.
Increasing the setting requires the root password, and usually a sytem reboot.

DDI Process 0: error code 911
ddikick.x: application process 0 quit unexpectedly.
ddikick.x: Fatal error detected.
The error is most likely to be in the application, so check for
input errors, disk space, memory needs, application bugs, etc.
ddikick.x will now clean up all processes, and exit...
ddikick.x: Sending kill signal to DDI processes.
ddikick.x: Execution terminated due to error(s).

If you are sure you are not asking for too much memory in the input file, check that your kernel parameters are not allowing enough memory to be requested. You might have to increase the SHMALL & SHMAX kernel memory values to allow GAMESS to run. (See http://www.pythian.com/news/245/the-mysterious-world-of-shmmax-and-shmall/ for a better explanation.)

For example, on a machine with 4GB of memory, you might add these to /etc/sysctl.conf:

# cat /etc/sysctl.conf | grep shm  
kernel.shmmax = 3064372224
kernel.shmall = 748137

Then set the new settings like so:

# sysctl -p

Since they are in /etc/sysctl.conf, they will automatically be set each time the system is booted.

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