[QE-users] Installation error With iFort QE v6.4.1 on macOS

2019-08-09 Thread Will DeBenedetti
All, I am attempting to compile Quantum Espresso v6.4.1 against MPICH and the iFort Intel Fortan compiler suite and am running into an odd error that I have not seen before, I am pasting a truncated undefined symbol error below. I am also listing my machine info and compiler info. System

Re: [QE-users] reading and writing of the binary wfc files

2019-08-09 Thread Christoph Wolf
Dear Paolo, grazie mille! Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users

Re: [QE-users] reading and writing of the binary wfc files

2019-08-09 Thread Paolo Giannozzi
Yes, you got it right. I/O is made awkward by the need to collect the distributed pieces of Kohn-Sham orbitals to a single processor in a well-defined order, and vice versa when reading. It's a big mess but it is well hidden inside "mergewf". Paolo On Thu, Aug 8, 2019 at 5:52 PM Christoph Wolf