[CPMD-list] CPMDv35 crash on SGI

[Michal Zapalowski]

Dear All,


after successful compilation on SGI Power Challenge I've tried to run the
test job: wavefunction optimization, taken from manual (see attached files).
Unfortunately CPMD crashed at the beginning of the job after  the following:

    [..complete output in the attachement...]
    GENERATE ATOMIC BASIS SET
         Si        SLATER ORBITALS
            3S        ALPHA=   1.6344      OCCUPATION= 2.00
            3P        ALPHA=   1.4284      OCCUPATION= 2.00
    Bus error (core dumped)


Was it my fault or CPMD  feature? Or, maybe, something else??

Any help will be very appreciated,

Michal


---
Michal Zapalowski
IARC, Technical University of Lodz
93-590  Lodz, Poland
(+48 42)  631-31-77
mzapalow at mitr.p.lodz.pl





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