Time for a quick quiz! Which of the following descriptions correspond to a real Gaussian 16 Link 0 command and which are imaginary?
Click on the stars to reveal the answers.
Is there a Link 0 command that lets you:
Specify a name and location for the checkpoint file?
This one is easy. YES: %Chk of course.
YES: This is the purpose of %OldChk (introduced in Rev C). The contents of the checkpoint file specified by %OldChk are copied to the checkpoint file of the current job/job step at its start. This allows data to be retrieved from a previous calculation’s checkpoint file without modifying or deleting anything in it. Data from the current job is saved to the checkpoint file specified in %Chk (or to the default checkpoint file if %Chk is omitted).
NO: We made this one up. A random item from the quote collection appears at the end of normally terminated jobs.
YES: In its simplest form, %RWF lets you specify the name and location for the read-write file. For example, this command names the read-write file myfile.rwf and places it in /scratch:
However, the command’s longer form lets you specify multiple locations for splitting the read-write file among two or more disks (or file systems):
Each location is followed by a maximum size for the file segment at that location. The size of each segment is given in 8-byte words by default, or can be followed by KB, MB, GB, or TB (without intervening spaces) to specify units of kilo-, mega-, giga- or terabytes.
For example, the following %RWF command specifies 3 file segments, in the directories /chem1, /chem2 and /chem3 (which are presumably on different disks); the latter segment is named bigfile. The first two segments can be up to 1 GB in size, and the final segment can use up to 10 GB:
As this example indicates, the locations may be either directory locations or full pathnames. Note that directory specifications must include terminal slashes on UNIX systems.
NO: We tend to focus on technical features rather than bells and whistles.
For more information about available Link 0 commands, see the Gaussian User’s Reference.
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Last updated on: 15 August 2016.