Dear Filippo, Thanks for your helpful comments. We have openmpi version 1.6-intel and the compiler version is intel-2012-lp64. Please let me know if more details are needed. I did edit the partialdos.f90 file to remove the advance="NO". So far, we have found the 5.2.1 version to perform well otherwise. Thanks, Natalie
N. A. W. Holzwarth email: nata...@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 On Mon, Sep 28, 2015 at 2:54 AM, Filippo Spiga <spiga.fili...@gmail.com> wrote: > Dear Natalie, > > 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 > > ***** > Disclaimer: "Please note this message and any attachments are CONFIDENTIAL > and may be privileged or otherwise protected from disclosure. The contents > are not to be disclosed to anyone other than the addressee. Unauthorized > recipients are requested to preserve this confidentiality and to advise the > sender immediately of any error in transmission." > > > On Sep 27, 2015, at 11:55 PM, Holzwarth, Natalie <nata...@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: > nata...@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 > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum@pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum