No, it's related to the non-existence of the scratch directory. QE can create a scratch directory, but only if the file system permissions allow that, and, I think, only one level above an existing directory.
Paolo On Thu, Jul 18, 2019 at 3:38 PM Hildebrand, Mariana < [email protected]> wrote: > Hi Pietro, > > > > Thanks. I should’ve realised that before…! Now it tells me: > > > > Program PHONON v.6.3MaX starts on 18Jul2019 at 6:33: 8 > > > > This program is part of the open-source Quantum ESPRESSO suite > > for quantum simulation of materials; please cite > > "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); > > "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); > > URL http://www.quantum-espresso.org";, > > in publications or presentations arising from this work. More details > at > > http://www.quantum-espresso.org/quote > > > > *** WARNING: using old-style file format, will disappear from next > version *** > > > > Parallel version (MPI & OpenMP), running on 288 processor cores > > Number of MPI processes: 288 > > Threads/MPI process: 1 > > > > MPI processes distributed on 9 nodes > > K-points division: npool = 4 > > R & G space division: proc/nbgrp/npool/nimage = 72 > > > > mkdir fail: [2] No such file or directory > > > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > Error in routine check_tempdir (1): > > tmp_dir cannot be opened > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > > > stopping ... > > > > I assume that might be related to insufficient memory. > > > > Best, M. > > > > *From: *users <[email protected]> on behalf of > Pietro Delugas <[email protected]> > *Reply-To: *Quantum ESPRESSO users Forum <[email protected] > > > *Date: *Thursday, 18 July 2019 at 14:32 > *To: *"[email protected]" <[email protected] > > > *Subject: *Re: [QE-users] Problem with large phonon calculation in the > gamma point for all 6.x versions: ERROR(FoX) Could not open file > /global/cscratch1/sd/mh5213/scanmode/2%/10x10/test/test_proc/test.save/data-file-schema.xml > - not a valid URI > > > > Hi > > try to remove the % from the path. > > Pietro > > On 18/07/19 15:21, Hildebrand, Mariana wrote: > > Dear all, > > > > I have been facing issues with a phonon calculation in the gamma point on > a 10x10 graphene supercell for two weeks now and am running out of ideas. > > For varioys reasons, I am obliged to run a phonon calculation in the gamma > point on this large 10x10 supercell. > > I compiled quantum espresso version 6.3 on a crayXC40 machine and both the > pw.x and ph.x executables work perfectly well for a smaller test system (a > 5x5 graphene supercell). > > For my 10x10 supercell, the pw.x executable works, however, for the ph.x > executable I keep getting the following error: > > > > ERROR(FoX) > > Could not open file > /global/cscratch1/sd/mh5213/scanmode/2%/10x10/test/test_proc/test.save/data-file-schema.xml > - not a valid URI > > > > Even though, the xml file is where it is supposed to be and in the correct > format. > > I also tried version 6.2.1 and obtain the same error. Then I compiled > version 6.3. configured with - - no xml as previously discussed in the > forum but it does not change anything. > > Furthermore, I tried to increase the RAM and played with the level of > parallelisation (the number of requested nodes and cpus per node). > > > > My input file for the ph.x executable is: > > > > Normal modes for graphene > > &inputph > > tr2_ph=1.0d-12, > > prefix='test', > > recover=.true., > > amass(1)=12.010, > > outdir='/global/cscratch1/sd/mh5213/scanmode/2%/10x10/test/test_proc' > > epsil=.false., > > fildyn='dmat.5x5' > > / > > 0.0 0.0 0.0 > > > > As I said, it works perfectly well for my smaller test system (the 5x5 > graphene supercell). > > I also tried to remove the recover=.true. keyword but it does not change > anything. > > > > Any help would be much appreciated. > > > > Best wishes, > > Mariana. > > > > _______________________________________________ > > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > > users mailing list [email protected] > > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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