Dear all, I encountered some errors when i use wannier90.x. The material is a surface slab of K(FeAs)2, which needs to do spin-polarized calculation. I have used Wien2k to do the pre-calculation, and then i used a interface called Wien2wannier between Wien2k and wannier90. The error occurred when i use a command which provides a wrapper script for wannier90.x. Here are the errors: Error in ZGESVD in overlap_project Error on node 0: examine the output/error files for details -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. what should i do to solve it? Looking forward to your reply. With regards! Yuyang Xia Shanghai Jiaotong University _______________________________________________ Wannier mailing list Wannier@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/wannier
