Error message from ESCF

[slackenerny]

When running ESCF to determine the spectrum of a compound, it ends with:

Iteration IRREP Converged      Max. Euclidean
                 roots          residual norm

    1       a        0        4.298597583587716D-02

    2       a        0        2.181993990032693D-02

    3       a        0        5.948377383707624D-03

    4       a        0        1.766785396957421D-03


 Allocation failure for MO-vector scratch arrays in <respon>


 MODTRACE: no modules on stack

  abnormal termination
 escf ended abnormally
 escf ended abnormally
program stopped.

And I can't quite make a sense out of it... Any further explanations?

best wishes!

[christof.haettig]

You should send a bug report to the TURBOMOLE support desk.

[doguapo]

I'm having an error message too with escf.  I'm running through the tutorial and trying to run a tddft calculation on pentahelicene radical anion - the RIDFT ran fine (b-p86 functional and sVP basis).  when trying to run escf, i have the following error message, after running interactively for around 30 seconds or so:
"
Iteration IRREP Converged  Max. Euclidean
                     roots          residual norm

MODTRACE: no modules on stack

Reference state is non-real unstable
escf ended abnormally
"
any suggestions?  Thanks!

[uwe]

Hi,

slackenerny:

it might be a little bit too late for an answer, but perhaps it helps other users: Allocation failures are in almost all cases caused by memory problems. Either your memory was not sufficient on that machine (or another big job was running at the same time), or your user limits are such that you are not allowed to use as much memory as you expect. Check with ulimit -a or see the post:

http://www.turbo-forum.com/index.php?topic=23.0

doguapo:

This has been discussed several times in this forum. If you enter the string 'unstable' in the Search field on this web site, you will find some posts about it. dimi gave several really helpful answers.

Regards,

Uwe