Comments (1)
Fixed:
$ g16.submit.dev -p4 -m2000 -w1h test.com
INFO : Configuration file '<HOME>/devel/tools-for-g16.bash/.g16.toolsrc' applied.
INFO : Will process Inputfile 'test.com'.
INFO : Output will be written to 'test.log'.
WARNING : Link0 directive '%NProcShared=12' found.
WARNING : The statement will be replaced by script values.
WARNING : Link0 directive '%Mem=4000MB' found.
WARNING : The statement will be replaced by script values.
INFO : Removed comment: Automagically created with g16.prepare.sh (tools-for-g16.bash, 0.2.2, 2019-04-04)
INFO : Removed comment: '<HOME>/bin/g16.prepare.dev' '-l3' '-ropt' '-jtest' 'start.xyz'
INFO : Checkpoint file 'test.chk' does not exists and will be created.
INFO : Removed keyword 'MaxDisk=30000MB'.
INFO : Added 'MaxDisk=30000MB' to the route section.
INFO : Written modified inputfile 'test.gjf'.
INFO : Request a total memory of 4500 MB, including overhead for Gaussian.
INFO : Request a walltime of 1:00:00.
INFO : Request 4 cores to run this job on. <<===
WARNING : No project selected.
INFO : Written submission script 'test.slurm.bash'.
INFO : Submitted batch job 1316395
INFO : g16.submit.sh is part of tools-for-g16.bash 0.3.0.dev (2019-04-XX)
from tools-for-g16.bash.
Related Issues (20)
- Language formatting needs to be checked
- configure has a few problems writing all correct values to file HOT 1
- Add `--` to terminate reading options. HOT 2
- g16.prepare -u switch doesn't exit properly, some values not accepted
- all input scripts need '-f' switch
- Add new queue: SLURM HOT 1
- validate_g16_route missing in spinput, but is referred to
- submit mangles link0 directives into the body of the input file HOT 1
- g16.spinput -R switch has no effect
- Input geometry with fragment specifications is not recognised be g16.prepare HOT 2
- Seemingly empty route sections are not detected
- Support different duration values for the script
- Wrong duration will not exit script
- Enhance predefined route sections HOT 5
- Version warning fires on false positive
- Recursive mode for g16.chk2xyz HOT 1
- configure script buggy in translate mode (-T switch) HOT 1
- Wrong check for profile HOT 1
- Language reset not sufficient
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