It would be important to know whether any of those errors is reproducible on a different machine
Paolo On Tue, Jun 5, 2018 at 9:01 AM, Ian Shuttleworth <[email protected] > wrote: > Dear QE community > > I have qe-6.2 installed using Intel/15.0.2 and OpenMPI/2.1.1-intel15 > > The build completes successfully and I'm able to execute pw.x from scratch > with no problems. > > However, if I save the wavefunctions to disk and subsequently try to > re-read them using restart or another QE application (e.g. projwfc.x) I get > > from davcio : > i/o error in davcio > > The error only appears if I am using a vdW correction, though the error > arises whether or not I use wf_collect. > If use neb.x the simulation stalls after the first iteration with a > similar error, whether or not I am using vdW corrections. > > I've tried the usual strategies (judging by posts already in the forum) of > varying the number of k points against the number of nodes / cores but with > no luck. I therefore suspect this problem may be arising because of the > interaction between QE and the gpfs filesystem that I'm using. I therefore > wanted to know if anyone else has experience of this type of filesystem / > file-writing problem and if so, how they configured their installation. > > The best archived reference I could find about this type of issue is a > little dated, for a different system than the one I'm using and not > entirely the same issue that I've outlined, so I wanted to know if any > other group is facing problems with file writing, particularly with gpfs: > > https://www.mail-archive.com/[email protected]. > org/msg14495.html > > With thanks > > Ian Shuttleworth > > (Nottingham Trent University, UK) > > _______________________________________________ > 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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