[Pw_forum] problem with DFT+U

[Paolo Giannozzi]

Thank you, but unless an example demonstrating the problem is provided, or
at least some information on where this message come from is supplied,
there is close to nothing that can be done

Paolo

On Wed, Nov 23, 2016 at 10:05 AM, Sergi Vela <sergi.vela at gmail.com> wrote:

> Dear Colleagues,
>
> Just to report that I'm having exactly the same problem with DFT+U. The
> same message is appearing randomly only when I use the Hubbard term. I
> could test versions 5.2 and 6.0 and it occurs in both.
>
> All my best,
> Sergi
>
> 2015-07-16 18:43 GMT+02:00 Paolo Giannozzi <p.giannozzi at gmail.com>:
>
>> There are many well-known problems of DFT+U, but none that is known to
>> crash jobs with an obscure message.
>>
>> Rank 21 [Thu Jul 16 15:51:04 2015] [c4-2c0s15n2] Fatal error in
>>> PMPI_Bcast: Message truncated, error stack:
>>> PMPI_Bcast(1615)..................: MPI_Bcast(buf=0x75265e0, count=160,
>>> MPI_DOUBLE_PRECISION, root=0, comm=0xc4000000) failed
>>>
>>
>> this signals a mismatch between what is sent and what is received in a
>> broadcast operation. This may be due to an obvious bug, that however should
>> show up at the first iteration, not after XX. Apart compiler or MPI library
>> bugs, another reason is the one described in sec.8.3 of the developer
>> manual: different processes following a different execution paths. From
>> time to time, cases like this are found  (the latest occurrence, in band
>> parallelization of exact exchange) and easily fixed. Unfortunately, finding
>> them (that is: where this happens) typically requires a painstaking
>> parallel debugging.
>>
>> Paolo
>> --
>> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
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>>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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