Dear users, I run in parallel a band structure calculation for MgB2, i.e. giving the explicit path of k-points in a nscf calculation, after a scf calculation. With versions 2.1.5 and 3.0 I have noticed that the nscf calculation does not produce any output, and it is basically stacked (whereas, with the same input, the serial version works off course). This happens *only* when the k-points are given explicitly (with the automatic mode is fine).
I am using the following set up: pwscf version: 2.1.5 and 3.0 compiler: pgi 5.2-4 mpi: mpich2 Has anyone else experienced the same problem? thanks, Andrea
