Problem solved! My mistake! I was using the same parallel running script that I use for cp.x to run cppp.x! Just don't run it with mpirun!!!!! It's serial!
Thanks a lot, Negar On Mon, Jul 9, 2012 at 6:01 PM, Negar Ashari Astani <negarastani at gmail.com>wrote: > Dear Gabriele, > > Thanks for your reply, I should have been more thoughtful about the > quotations! > I'll put my actual input here: > > &INPUTPP > ! prefix = 'Anatase', > fileout ='out', > output = 'xsf', > outdir = '/scratch/negar/espresso/out/', > lcharge=.TRUE., > lforces=.TRUE., > ldynamics =.False., > lpdb=.TRUE., > lrotation = .False., > ! ns1, ns2, ns3, > ! np1, np2, np3, > ! nframes=50, > ndr=50, > ! ndw=91, > atomic_number(1)=22 > atomic_number(2)=8, > ! charge_density= 'full', > state= 'KS_1', > lbinary=.TRUE. > / > > I'm still getting the same error! and what surprises me is that I have set > the ndr value equal to 50 in both my cp.in and cppp.in and the program is > still looking for cp_51.save! which doesn't exist! (Even if I change the > folder name to 50 manually, that wouldn't change anything!) > > Many thanks, > Nash > > > > > On Mon, Jul 9, 2012 at 2:18 PM, Negar Ashari Astani <negarastani at gmail.com > > wrote: > >> >> 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 >> >> 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, >> wfcdir=..mypath../espresso/out, >> lcharge=.TRUE., >> lforces=.TRUE., >> ldynamics=.TRUE., >> lpdb=.TRUE., >> lrotation, >> ns1, ns2, ns3, >> np1, np2, np3, >> nframes=50, >> ! ndr=90, >> ! ndw=91, >> atomic_number(1) 22 >> atomic_number(2) 8, >> charge_density, >> state= KS_1, >> lbinary=.TRUE. >> / >> >> Although I'm using Q.Espresso.5, I tried to replace fpmdpp.f90 with the >> file provided by Paolo in the second link! >> That didn't work either! >> >> Many thanks, >> Nash >> >> >> > > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120710/4709a059/attachment.htm
