[molpro-user] TMP files

Javier Cerezo jcb1 at um.es
Thu Dec 22 08:45:45 GMT 2011

Hi Marcela

TMP files are generally inherent to any QM calculation (to store 
integrals and so on), so I don't think there is the option not to write 
them. If available for the method you are using, try to use a direct 
algorithm, that reduces the storage&RAM used. If not, I guess the only 
thing you can do is delete all "TMP" files that are not automatically 
deleted after the run (e.g. when you kill the job)


El 21/12/11 16:56, Marcela Madrid escribió:
> hi,
> is there a flag to completely suppress the writing of TMP files?
> I know how to write them to a particular SCRATCH directory with
> the -d flag, but I would prefer (the sysadm would prefer) if these
> files were not written at all. Thank you,
> Marcela
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PhD Student
Physical Chemistry
Universidad de Murcia
Murcia (Spain)

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