Dear all, I am trying to have some DFT+U calculations on a system with Tb including f electrons. I've never done any Hubbard calc so I was increasing slowly the U parameters. The calcs goes well up to .8 but when I increase it simply crash after XX cycles with a nasty mpi error:
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 MPIR_Bcast_impl(1455).............: MPIR_CRAY_Bcast(420)..............: MPIR_CRAY_Bcast_Tree(152).........: Being completely fresh in DFT+U I was wondering if it could have been a reason, if it is a "well known" problem of the implementation in QE or if it can be fixed somehow. Many thanks for helping Davide
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