Hello, > Hello everyone, > > I'm confronting a probably stupid problem with cppp.x! I saw this problem > being reported two times in the forum: > > http://www.democritos.it/pipermail/pw_forum/2011-February/019298.html > > http://www.democritos.it/pipermail/pw_forum/2008-May/009020.html >
I think the second link here above is not related to your error message. > Having read those, I'm still getting the following error: > > Cannot open file ....espresso/out/cp_51.save/data-file.xml > > I checked the corresponding address, and the files are there! > and I also renamed the save directory and files to match the default cp_51 > and ..... > > > This is my input file for cppp.x: > > > &INPUTPP > ! prefix=Anatase, > fileout=out, > output=xsf, > outdir=..mypath../espresso/out, outdir should be a fortran string, that is to say that you have to enclose the path within quotation marks ( " or ' ). > wfcdir=..mypath../espresso/out, This variable is not in the namelist, so you should get another error message from the code when the input is read. Is this really the input file you used? > lrotation, > ns1, ns2, ns3, > np1, np2, np3, Also these three lines above (and many others below) would make the code complain. Inside a namelist you have to stick to the list-directed syntax of F90, i.e. variable = value, where variable is one of those listed here: http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_CPPP.html HTH GS ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120709/51d68887/attachment.htm
