[QE-users] File write problems : suspected gpfs filesystem issues

[Paolo Giannozzi]

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 <shuttleworth.ian at gmail.com
> 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/users@lists.quantum-espresso.
> org/msg14495.html
>
> With thanks
>
> Ian Shuttleworth
>
> (Nottingham Trent University, UK)
>
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-- 
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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