Dear QE Users, I am working on some modifications to the QE-6.0 code using symmetry. When I try to combine a 3-D array scattered across nodes, I use the following:
output(3,nbnds,(k_pool*pool_id+1:k_pool*pool_id+k_pool))=input(3,nbnds,1:k_pool) Here, nbnds is the number of bands, k_pool is the number of k points/pool, and pool_id is the id of the pool. Here I am assuming the the number of k points is divisible by the number of pools. Then I call mp_sum(output,inter_pool_comm) to put all the segments of input across the nodes into one output file. When I run the modified QE code in parallel, the output file is different from the serial run. Does the QE's mp_sum allow the above operation for a three-D array? Any hints or suggestions would be greatly appreciated. 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
