[molpro-user] Can't find scratch files

[Reuti]

Am 26.07.2013 um 16:02 schrieb Gabriel Freitas:

> Dear molpro users/developers,
> 
> I'm currently using AIMS module on Molpro 2012.1, and I'm having some I/O issues. The problem is that I can't find where the scratch files of the job are.
> 
> The head of my output file is:
> 
>  Primary working directories    : <dir1>
>  Secondary working directories  : <dir1>
>  Wavefunction directory         : <input_output_dir>
>  Main file repository           : <dir1>
> 
> When I search <dir1>, there is nothing there (even with ls -a). In my input/output directory, the files are:

They are instantly deleted and won't show up in the directory listing any longer. You can spot them with:

lsof

They will have the comment "(deleted)".

-- Reuti


>  20K -rw-rw-r-- 1 gabriel gabriel  19K Jul 26 10:52 Angles.1
>  16K -rw-rw-r-- 1 gabriel gabriel  14K Jul 26 10:52 Bonds.1
> 8.0K -rw-rw-r-- 1 gabriel gabriel 7.0K Jul 26 10:52 Charge.1
> 108K -rw-rw-r-- 1 gabriel gabriel 104K Jul 26 10:38 Checkpoint.txt
> 4.0K -rw-r--r-- 1 gabriel gabriel 1.6K Jul 25 20:29 Control.dat
>  12K -rw-rw-r-- 1 gabriel gabriel  12K Jul 26 10:52 Dihedrals.1
> 8.0K -rw-rw-r-- 1 gabriel gabriel 6.3K Jul 26 10:52 Dipole.1
> 4.0K -rw-r--r-- 1 gabriel gabriel  638 Jul 25 20:18 job.inp
> 3.9M -rw-rw-r-- 1 gabriel gabriel 3.9M Jul 26 10:54 job.out
> 4.4M -rw-rw-r-- 1 gabriel gabriel 4.4M Jul 26 10:58 job.xml
>  12K -rw-rw-r-- 1 gabriel gabriel  12K Jul 26 10:52 E.dat
>  12K -rw-rw-r-- 1 gabriel gabriel  11K Jul 26 10:52 FMS.out
> 4.0K -rw-rw-r-- 1 gabriel gabriel 2.9K Jul 25 20:30 Frequencies.dat
> 4.0K -rw-r--r-- 1 gabriel gabriel 2.9K Jul 25 20:18 FrequenciesMP.dat
> 4.0K -rw-r--r-- 1 gabriel gabriel  526 Jul 25 20:18 Geometry.dat
> 4.0K -rw-rw-r-- 1 gabriel gabriel 3.8K Jul 26 10:52 Last_Bundle.txt
> 8.0K -rw-rw-r-- 1 gabriel gabriel 4.2K Jul 26 10:52 N.dat
> 4.0K -rw-rw-r-- 1 gabriel gabriel  724 Jul 25 20:30 Out.xyz
>  36K -rw-rw-r-- 1 gabriel gabriel  36K Jul 26 10:52 positions.1.xyz
> 8.0K -rw-rw-r-- 1 gabriel gabriel 4.2K Jul 26 10:52 PotEn.1
>  48K -rw-rw-r-- 1 gabriel gabriel  41K Jul 26 10:52 TrajDump.1
> 
> That is, no integral files, or all other scratch file. I'm trying to find them, unsuccesfully.
> 
> Any help will be appreciated.
> 
> Best whishes,
> 
> Gabriel
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