Error Exit - linearly dependent basis/illegal negative file offset

[Aiko Huckauf]

Dear Sir or Madam,

in my mp2 and ccsd(t) calculations Molpro sometimes stopped with
error messages that do not really help me to understand why.

I have performed a test run using the same input data, varying only
method and/or basis set, with the following results:

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MP2 cc-pVDZ       works fine
MP2 cc-pVTZ       works fine
MP2 cc-pVQZ       f_seek: illegal negative file offset on file
                  T1100017125.TMP, unit 11, offset=-2147479552

MP2 aug-cc-pVTZ   ERROR: BASIS LINEARLY DEPENDENT OR WRONG S
MP2 aug-cc-pVQZ   ERROR: BASIS LINEARLY DEPENDENT OR WRONG S

CCSD(T) cc-pVDZ       works fine
CCSD(T) cc-pVQZ       f_seek: illegal negative file offset on file
                      T1100017166.TMP, unit 11, offset=-2147479552

CCSD(T) aug-cc-pVTZ   ERROR: BASIS LINEARLY DEPENDENT OR WRONG S
CCSD(T) aug-cc-pVQZ   ERROR: BASIS LINEARLY DEPENDENT OR WRONG S

--

I am using Molpro 2000.1 on a RedHat Linux 7.0 system (kernel 2.4.18,
AMD Athlon 1333 MHz, 1.5 GB RAM).

I would appreciate very much if somebody could give me a hint at the
causes of the above-mentioned errors (and help me to avoid them).

Thank you very much in advance!

Aiko Huckauf

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Dr. Aiko Huckauf                       Department of Chemistry
Fon: 780-492-4635                      University of Alberta
Fax: 780-492-8231                      Edmonton AB  T6G 2G2
E-Mail: Aiko.Huckauf at ualberta.ca       Canada