Dear QE Users, I have a 3-D allocatable array, A_wedge(3,nbnd,nk_wedge), where the first element is x,y,z, nbnd is the number of bands and nk_wedge is the number of k points in the irreducible zone. The array is broadcast across the nodes and I can print all the elements from mpime=ionode_id. I get the same answer when I run the code serially and print the elements. The parallelization (I must use pools) is over the k points in the wedge, ik_wedge.
Next, in the same code I use the QE-6.0 symmetry package to generate the allocatable array A_bz(3,nbnd,ik_bz). Here, the parallelization is still over the k points in the wedge. So for node=1, I may get 20 elements of A_bz for the particular values of ik_wedge while for node=2, I may get more. This happens because the k points in the wedge have different multiplicities. So by now, I have A_bz(3,nbnd,nk_bz) scattered across nodes. Does QE have a way of writing A_bz to file? Thank you, Vahid Vahid Askarpour Department of Physics and Atmospheric Science Dalhousie University, Halifax, NS, Canada _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
