- Options
- Equivalencies
Command Line Options
The g16 command accepts the following options on all platforms:
| Option | Description | Example |
| -r=list | Route section default keyword list | -r="Int=SuperFine Freq=HPModes" |
| -m=value | Memory amount for Gaussian jobs | -m=200GB |
| -c=list | Processor/core list for multiprocessor parallel jobs | -c="0-31" |
| -g=list | GPUs=Cores list for GPU parallel jobs | -g="0-8=0-6,31,32" |
| -s=command | Command to use for starting workers for network parallel jobs: generally ssh or rsh, but any command may be specified. | -s=ssh |
| -w=list | List of hostnames for network parallel jobs. | -w="apple,banana,cherry" |
| -p | Number of processors/cores for multiprocessor parallel jobs. Deprecated; use -c. | |
| -l | Number of nodes for network parallel jobs. Deprecated; use -w. | |
| -x | Complete route for the job (the route is not read from the input file). | -x="# b3lyp/6-31G(d) opt freq" |
| -y | Checkpoint file. | -y="$HOME/project3/gfp.chk" |
| -fchk | Generate the specified formatted checkpoint file as well as a binary one, and update it each time the checkpoint file is updated. | -fchk=/plots/job8.fchk |
| -z | Read-write file. | -z=/scratch2/fox7.rwf |
| -ic | Existing checkpoint file from which to read input. | -ic=job6 |
| -im | Matrix element file from which to read input. | -im=fox7.dat |
| -im4 | Matrix element file using 4-byte integers from which to read input. | -im4=fox12 |
| -im8 | Matrix element file using 8-byte integers from which to read input. | -im8=fox7 |
| -ir | Raw matrix element file from which to read input. | -ir=job6 |
| -ir4 | Raw matrix element file using 4-byte integers from which to read input. | -ir4=job27 |
| -ir8 | Raw matrix element file using 8-byte integers from which to read input. | -ir8=job7 |
| -oc | Output checkpoint file. Generally redundant with -y. | |
| -om | Output matrix element file. | -om=job16new_mat |
| -om4 | Output matrix element file using 4-byte integers. | -om4=job32mat |
| -om8 | Output matrix element file using 8-byte integers. | -om8=job64mat |
| -or | Output raw matrix element file. | -or=job7_raw |
| -or4 | Output raw matrix element file using 4-byte integers. | -or4=proteins_rawdat |
| -or8 | Output raw matrix element file using 8-byte integers. | -or8=proteins_rawdat |
Note that the quotation marks are often required around option values to avoid modification by the shell.
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Last updated on: 23 July 2019. [G16 Rev. C.01]
