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.gianno...@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@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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