ccsd(t) single point fials after magic iteration number 6

[Ilja Khavrutskii]

Dear molpro users,

Perhaps, I put this too far in the original message:

 >  >>> So I thought may be this is due to disk space.
 >  >>>But when I run this on a machine with huge disks I get the same 
error and
 >  >>>DISK USED  *         7.00 GB even though the smallest scratch 
directory is 15GB.

If this is not convincing or informative, more details follow: Redhat 
7.3 with kernel 2.4.18, molpro version 2002.3.
If I track the size of the disk space used every minute during this 
failing job I would see around 6th iteration:

from "df -l" command:

Filesystem           1k-blocks      Used Available Use% Mounted on
/dev/hda1              2015984   1375832    537744  72% /
none                   1030532         0   1030532   0% /dev/shm
/dev/sda1             17639220   1051104  15692096   7% /scratch1
/dev/hda3             56084596   4638416  48597220   9% /scratch2

then just before it dies:
Filesystem           1k-blocks      Used Available Use% Mounted on
/dev/hda1              2015984   1375844    537732  72% /
none                   1030532         0   1030532   0% /dev/shm
/dev/sda1             17639220   1051104  15692096   7% /scratch1
/dev/hda3             56084596   3801492  49434144   8% /scratch2

and then finally when it is dead:
Filesystem           1k-blocks      Used Available Use% Mounted on
/dev/hda1              2015984   1375812    537764  72% /
none                   1030532         0   1030532   0% /dev/shm
/dev/sda1             17639220        20  16743180   1% /scratch1
/dev/hda3             56084596      1476  53234160   1% /scratch2

So, I wonder if this still leaves a chance to "just a full disk". 
Perhaps "df" is not a good way to monitor the disk space in this case.
If so would you let me know what would be more definitive way to state 
that the disk limit is far from being reached?

Tentatively it looks very much like a bug, may be in molpro or may be in 
the linux kernel.
I noticed that when this job runs, system load is substantial  and you 
will see occasionally "kswapd" and "kupdated" taking over a whole cpu.

Anyway I am very much interested in the solution of this problem. Has 
anybody gone over ~7GB with 2.4.18 kernel and molpro 2002.3 running 
uccsd(t), if so could you help me?

Best regards,
Ilja