Hi,

I am a postdoc in the group of Prof. W. Knapp, Berlin.
I am trying to compute the excitation energies for a
Chlorophyll molecule (without the phytyl chain).
Taking a DZ basis set, the program works without any problem.
But when changing the basis set to DZ with polarization (DZP)and
after the SCF part converged, ADF crashes with the following error
message:
------------------------------------------------------------------------

---
   ADF EXIT called
    CIO_ERROR cio_llwrite: lseek failed (TAPE10__0,fd=6,rec=784197)
************************************************************************ 
*******
************************************************************************ 
*******
                               A D F   E X I T
   pp info: terminating timer Tote.toten_pSCF_Anal
   pp info: terminating timer Tote.()_pSCF_Anal
    CIO_ERROR cio_llwrite: lseek failed (TAPE10__0,fd=6,rec=784197)
   Current Execution Stack has  3 elements
   Last to be Executed : ADF
   Stack of Active SubPrograms:
   ----------------------------
   TOTEN
   AMOL
   ADF
------------------------------------------------------------------------ 
-------------
   More details:
   1. ADF is installed on Linux
   2. I tried to increase the SCM_IOBUFFERSIZE to 128 but that did not  
help
   3. I also included the command "DISK NOBAS NOFIT", in the script file
   4. I increased the stack size limit to "unlimit stack" as suggested by
Serguei P.
   5. I am using frozen core approximation
   6. We have enough memory on the local machines: 500MB/Ram and about
60GB HD.
   7. I changed the parameters for the integration, linearscaling,
dependency ...
   8. For smaller molecules (about 50 atoms), the computation of the
   excitations energies works well and for  different basis sets (DZ,
DZP, TZP, TZ2P)
   Many trials but still the same problem
   Please, do you have any suggestions ?
   Thanks in advance
-- 
Freie Universitaet Berlin                 Tel.: +49 30 838-52842
Institut fuer Chemie (Kristallographie)   Fax:  +49 30 838-53464
M.E. MADJET                               madjet_at_Chemie.FU-Berlin.DE
Takustrasse 6
D-14195 Berlin, Germany