| 8:59:12 AM PST - Mon, Dec 5th 2011 |
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I trying to illustrate the problem with junk files.
Please use my nwchem input above. You can use a smaller basis set and grid.
Before you start the calculation, start the following script in the same directory:
#!/bin/sh
file="*.junk.0"
laststat='0'
while /bin/true;
do
t=`date +%s.%N`
if test -e ${file} 2> /dev/null;
then
newstat='1'
else
newstat='0'
fi
if [ "${newstat}" != "${laststat}" ];
then
echo ${t} ${newstat} >> junk_count
laststat=${newstat}
fi
done
This script will put a line into the junk_count file every time a *.junk.0 is created or deleted,
and supposedly will show that junk files are created/deleted more than once.
I used http://nwchemgit.github.io/images/Nwchem-6.0-binary-redhat-5-5-gcc-4-1-2.tar.bz2 on a x86_64 CentOS 5 system.
If there is no way to stop those junk files from being created please consider as a priority fixing that.
IO is IO no matter how you call it.
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