gaussian 16 명령 실행 옵션

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.