[Pw_forum] Version 5.2.1 for the PP program
spiga.filippo at gmail.com
Mon Sep 28 08:54:47 CEST 2015
which version of intel compiler? We need to track these information to fix backward compatibility and increase our testing coverage. Anyway, if needed I can generate a patch to revert only these specific issue within the next 24h.
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga
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> On Sep 27, 2015, at 11:55 PM, Holzwarth, Natalie <natalie at wfu.edu> wrote:
> In testing the new 5.2.1 version of the program, I noticed that one change from 5.1 was in the partial density of states output from partialdos.f90 for the title line.
> For example, in version 5.1, the title line for the pdos output used
> WRITE(4,'(" pdos(E) ",$)')
> while in version 5.2.1 the same pdos output is changed to
> WRITE(4,'(" pdos(E) "), advance="NO"')
> For our intel compiler, the 5.1 version keeps the title line on a single line, while the 5.2.1 version puts each piece of the title line on a different line. I guess it is not processing the advance="NO" statement. Since this title line is making the postprocessing difficult, I am tempted to put those write statements back to the 5.1 version, or perhaps there is a better solution. Thanks in advance for your advice on this. Natalie
> N. A. W. Holzwarth email: natalie at wfu.edu
> Department of Physics web: http://www.wfu.edu/~natalie
> Wake Forest University phone: 1-336-758-5510
> Winston-Salem, NC 27109 USA office: Rm. 300 Olin Physical Lab
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