[molpro-user] Can't find scratch files

Gabriel Freitas gabrielnfreitas at gmail.com
Fri Jul 26 15:02:46 BST 2013


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:

 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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