[Pw_forum] Disparities between HPC's

[Jack Davis]

Hi Paolo,

Please find the extra files attached. The only difference is the number of cores each calculation was run with. This is due to differing architectures.

Thanks again,

Jack Davis

School of Chemistry
University of Birmingham





On 15 Feb 2013, at 11:30, Paolo Giannozzi <giannozz at democritos.it<mailto:giannozz at democritos.it>> wrote:

>
> On Feb 15, 2013, at 10:52 , Jack Davis wrote:
>
>> Is there an issue using this particular pseudopotential with QE 5.0.1,
>> or are my cut offs too high?
>>
>> Again the calculations converge on the second HPC service.
>
> the same calculation with the same input, same pseudopotential,
> same version of the code, same number of processors, converges
> on a second HPC service? make a diff of the two outpus (and
> provide the output for the latter case pleaee)
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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