[Pw_forum] dE0s is positive which should never happen

Guntram Schmidt guntram.schmidt at chemie.uni-halle.de
Fri Jul 8 16:33:14 CEST 2011


Hello!

What is the "running" directory? The place where I started the mpiexec 
from, the tmp-directory?
Does 'prefix' not prevent such problems?

In fact, I have now a lot of jobs, just crashing without some things like:


    3:"xc_vdW_DF.f90", line 1746: 1525-108 Error encountered while 
attempting to allocate a data object.  The program will stop.
    6:"xc_vdW_DF.f90", line 1746: 1525-108 Error encountered while 
attempting to allocate a data object.  The program will stop.
    2:"xc_vdW_DF.f90", line 1746: 1525-108 Error encountered while 
attempting to allocate a data object.  The program will stop.


in the standard output.

Any ideas?

Thanks,
Guntram


Am 08.07.2011 10:08, schrieb giannozz at democritos.it:
> Quoting Lorenzo Paulatto<Lorenzo.Paulatto at impmc.upmc.fr>:
>
>> It could be a small bug in the BFGS algorithm, or a compiler error or a
>> bug in some algebra library...
>
> or another job running in the same directory
>
> P.
>
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