<div dir="ltr">Dear molpro users/developers,<div><br></div><div>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.</div>
<div><br></div><div style>The head of my output file is:</div><div style><br></div><div style><div> Primary working directories : <dir1></div><div> Secondary working directories : <dir1></div><div> Wavefunction directory : <input_output_dir></div>
<div> Main file repository : <dir1></div><div><br></div><div style>When I search <dir1>, there is nothing there (even with ls -a). In my input/output directory, the files are:</div><div style><br></div>
<div style><div> 20K -rw-rw-r-- 1 gabriel gabriel 19K Jul 26 10:52 Angles.1</div><div> 16K -rw-rw-r-- 1 gabriel gabriel 14K Jul 26 10:52 Bonds.1</div><div>8.0K -rw-rw-r-- 1 gabriel gabriel 7.0K Jul 26 10:52 Charge.1</div>
<div>108K -rw-rw-r-- 1 gabriel gabriel 104K Jul 26 10:38 Checkpoint.txt</div><div>4.0K -rw-r--r-- 1 gabriel gabriel 1.6K Jul 25 20:29 Control.dat</div><div> 12K -rw-rw-r-- 1 gabriel gabriel 12K Jul 26 10:52 Dihedrals.1</div>
<div>8.0K -rw-rw-r-- 1 gabriel gabriel 6.3K Jul 26 10:52 Dipole.1</div><div>4.0K -rw-r--r-- 1 gabriel gabriel 638 Jul 25 20:18 job.inp</div><div>3.9M -rw-rw-r-- 1 gabriel gabriel 3.9M Jul 26 10:54 job.out</div><div>4.4M -rw-rw-r-- 1 gabriel gabriel 4.4M Jul 26 10:58 job.xml</div>
<div> 12K -rw-rw-r-- 1 gabriel gabriel 12K Jul 26 10:52 E.dat</div><div> 12K -rw-rw-r-- 1 gabriel gabriel 11K Jul 26 10:52 FMS.out</div><div>4.0K -rw-rw-r-- 1 gabriel gabriel 2.9K Jul 25 20:30 Frequencies.dat</div><div>
4.0K -rw-r--r-- 1 gabriel gabriel 2.9K Jul 25 20:18 FrequenciesMP.dat</div><div>4.0K -rw-r--r-- 1 gabriel gabriel 526 Jul 25 20:18 Geometry.dat</div><div>4.0K -rw-rw-r-- 1 gabriel gabriel 3.8K Jul 26 10:52 Last_Bundle.txt</div>
<div>8.0K -rw-rw-r-- 1 gabriel gabriel 4.2K Jul 26 10:52 N.dat</div><div>4.0K -rw-rw-r-- 1 gabriel gabriel 724 Jul 25 20:30 Out.xyz</div><div> 36K -rw-rw-r-- 1 gabriel gabriel 36K Jul 26 10:52 positions.1.xyz</div><div>
8.0K -rw-rw-r-- 1 gabriel gabriel 4.2K Jul 26 10:52 PotEn.1</div><div> 48K -rw-rw-r-- 1 gabriel gabriel 41K Jul 26 10:52 TrajDump.1</div><div><br></div><div style>That is, no integral files, or all other scratch file. I'm trying to find them, unsuccesfully.</div>
<div style><br></div><div style>Any help will be appreciated.</div><div style><br></div><div style>Best whishes,</div><div style><br></div><div style>Gabriel</div></div></div></div>