CCL:G: Gaussian Segmentation Fault termination via Lnk1e in /opt/gaussian03/g03/l9999.exe



 Sent to CCL by: "Dr. Alexander Hofmann" [ah\a/chemie.hu-berlin.de]
 Hi there,
 this usally appears if your geometry does not converge within the (default)
 number of cycles. You should check the gradients and increase the maximum number
 of optimization steps. The default depends somehow on the number of atoms and is
 for small systems rather small. I've seen sth. around 20 cycles.
 Hth
 alex
 On Thu, May 11, 2006 at 10:40:56AM -0400, Roger Kevin Robinson
 r.robinson(!)imperial.ac.uk wrote:
 > Sent to CCL by: Roger Kevin Robinson [r.robinson]|[imperial.ac.uk]
 > Hi,
 >
 >     I keep getting segmentation faults with gaussian. Its on TS jobs and
 > some G3B3 calculations. Its when the program is passed to l9999.exe
 > deireclty after a quote.
 >
 > Im pretty sure the complilation is sound.
 >
 > this is the error in the shell
 >
 > **** Segmentation fault!  Fault address: 0x3ec00003bb5
 >
 > Fault address is 4312054295477 bytes above the nearest valid
 > mapping boundary, which is at 0x5895000.
 >
 > You can obtain a view of your program's memory map at
 > the time of the crash by rerunning with the F90_DUMP_MAP
 > environment variable set to a non-empty string.
 >
 > and this in the shell
 >
 >  UPON WHICH ONE COULD HAVE BUILT.  -- A.EINSTEIN
 >  Error termination request processed by link 9999.
 >  Error termination via Lnk1e in /opt/gaussian03/g03/l9999.exe at Thu May
 > 11 13:35:32 2006.
 >  Job cpu time:  0 days  0 hours  0 minutes  7.0 seconds.
 >  File lengths (MBytes):  RWF=     19 Int=      0 D2E=      0 Chk=     10
 > Scr=
 >
 > I've tried uping the memory using 1 processor uptime the size of the
 > scratch directory.
 >
 > I cant even do the TS job example from
 >
 > Exploring chemistry with electronic structure methods 2ed. - Foresman,
 > Frisch
 >
 > I've ran plenty of other G3B3 jobs with out error it mainly seems to be
 > a fault locating Transistion States.
 >
 > Any ideas ?
 >
 > Thanks Roger>
 >
 >
 --
 Dr. Alexander Hofmann
 Humboldt-Universitaet zu Berlin
 Institut fuer Chemie
 Arbeitsgruppe Quantenchemie
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