[gpaw-users] broadcasting H_skMM and S_skMM yields Typeerror

[Nichols A. Romero]

The problem is that this broadcast method only works on NumPy arrays and H is not a NumPy array.

Nichols A. Romero, Ph.D.
Argonne Leadership Computing Facility
Argonne National Laboratory
Building 240 Room 2-127
9700 South Cass Avenue
Argonne, IL 60490
(630) 252-3441


----- Original Message -----
From: "Alex Eftimiades" <alexeftimiades at gmail.com>
To: gpaw-users at listserv.fysik.dtu.dk
Sent: Thursday, November 17, 2011 11:12:59 PM
Subject: [gpaw-users] broadcasting H_skMM and S_skMM yields Typeerror


When I try to broadcast 
ibz2d_k, weight2d_k, H, S = get_lead_lcao_hamiltonian(lead_copy.calc, direction='z') 
world.broadcast(H,0) 

I get: 
TypeError: Not a proper NumPy array for MPI communication. 

I have checked all sorts of combinations of barriers, and I have tried declaring the variables H and S at the top of the code, I have tried checking that H and S are None for all other ranks (they are) I have tried printing H and S for rank 0 (typical complex ndarray), I have tried explicitly casting H and S into arrays both before and after setting them equal to H_skMM and S_kMM respctively, and I have tried just broadcasting the real parts of H and S. 

Please tell me what I am doing wrong here. 
Alex 

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