[Pw_forum] problem with DFT+U

[Sergi Vela]

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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161123/fc94f1fa/attachment.html>