[CP2K:8008] Strange behavior of NEB-CI on Marconi-Cineca

Teodoro Laino teodor... at gmail.com
Tue Jul 26 03:18:15 UTC 2016

Ciao Roberto,

> On 25 Jul 2016, at 17:48, Roberto Gaspari <roby.g... at gmail.com> wrote:
> On Fermi I have had this error:
> *** ERROR in open_file (MODULE cp_files) *** 
>  ******************************************** 
>  *** An error occurred opening the file <PROJ-r-0_localLog_p112.out> with *** 
>  *** the unit number 1 (IOSTAT = 37)                                      *** 
>  *** Program stopped at line number 439 of MODULE cp_files *** 
This message tells you that there was an error an CP2K was trying to open a log file to dump information about the error and did not succeed.

> Can somebody kindly clarify to me how the exchange of information
> between images is done? (i.e. is the exchange of information using temporary files?)
no temporary files.. all is made in memory.

> Did anybody step into this kind of behavior before?
> I am paralleling ask the help also of the CINECA support.
I believe is a problem of the compiler (I have had other similar issues on other codes on the same platform).
Are you using INTEL (either 15/16) ? If yes, please switch to gfortran: in few other cases this was the easiest solution.

If you are already using gfortran, then I would suggest to have the people responsible for this architecture to dig into that.

> Please tell me if more information on the calculation is needed.
> I thank you very much for your attention and help,
> Best Regards,
> Roberto 
> Istituto Italiano di Tecnologia
> CompuNet/Nanochemistry
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com <mailto:cp2k+uns... at googlegroups.com>.
> To post to this group, send email to cp... at googlegroups.com <mailto:cp... at googlegroups.com>.
> Visit this group at https://groups.google.com/group/cp2k <https://groups.google.com/group/cp2k>.
> For more options, visit https://groups.google.com/d/optout <https://groups.google.com/d/optout>.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160726/aad3188c/attachment.htm>

More information about the CP2K-user mailing list