[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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