seward error srt3.inc


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Posted by stefano vanni on November 23, 2005 at 11:07:52:

I started a molcas job, and it crashed giving me this error:


SEWARD will use a sorting area of 98304 Words(Real*8) in the first phase (= 12 bins).
SEWARD will use a sorting area of******** Words(Real*8) in the second phase.


*** (S)-level message SORT2A001 ***
nStk exceeds limits (nStk>lStk)
nStk = 65537
lStk = 65536
iBin = 8

Action
1) rerun with a larger MOLCASMEM
or
2) enlarge lStk in src/Include/srt3.inc and
recompile SEWARD

History of remarks
------------------


Calling history
---------------

last entry: SORT2
SORT2 called by SEWARD
root: SEWARD

grabit: MOLCASMEM is 12192
--- Stop Module: seward at Tue Nov 22 19:12:06 CET 2005 /rc= 16 ---
Non-zero return code - check program input/output
--- Stop Module: auto at Tue Nov 22 19:12:20 CET 2005 /rc=98 ---


Then I would like to ask you:
1. I chose a molcasmem of 12192 MB because i thought that it would be sufficient to run my CASPT2 job and i can't enlarge this memory further, what can I do?
2. The file src/Include/srt3.inc does not exist. Do i have to make it manually? If so, can you tell me how to construct it?
3. The error seems to suggest that it's possible to construct files that, in a misterious way (like swap files), allows to ask less memory then that expected. Is this true? If so, can I reduce the Memory I need to run the CASPT2?
Thanks


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