Archive Keyword
Last Update: 12/31/2000

This keyword directs Gaussian 98 to place the results from the calculation into the site archive (results database) if the job completes successfully. The GAUSS_ARCHDIR environment variable specifies the location of the archive files. Refer to the Browse Quantum Chemistry Database System User’s Guide for information on making use of the archive entries. The Test keyword may be used to suppress automatic archiving. In this case, archive entries are still listed at the end of the output file (from which they may be extracted at a later time if desired). NoTest is a synonym for Archive.

Not all job types may be archived. See the discussion of the individual keywords for such limitations. Archiving is also disabled by default whenever the IOp keyword is used to set internal program options; the Archive keyword can override this.

Here is a sample archive entry, as it appears at the conclusion of a Gaussian 98 output file:

1\1\GINC-DALTON\SP\RHF\STO-3G\H2O1\GWTRUCKS\24-Oct-1994\0\\#T TEST 
POP=NONE\\Water single point energy\\0,1\O\H,1,1.\H,1,1.,2,120.\\V
ersion=IBM-RS6000-G94RevA.1\HF=-74.9490523\RMSD=5.447e-04\PG=C02V 
[C2(O1),SGV (H2)]\\@

The lines of the archive entry are wrapped without regard to word breaks. Fields within the archive entry are separated by backslashes, sections are separated by multiple backslashes, and the entry ends with an at sign (@). The archive entry records the site, user, date, and program version used for the calculation, as well as the route section and the title section for the job. It also contains the molecule specification or optimized geometry and all of the calculation’s essential results. Note, however, that it does not include quantities which can be rapidly recomputed from them (such as thermochemistry results for a frequency calculation).

For those job types which cannot be archived, the following line will appear in the output file in place of the archive entry:

This type of calculation cannot be archived. 

Rearchive, Test

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