Re: [QE-users] Error when computing the band structure

2020-06-04 Thread Paolo Giannozzi
I mean that the problem _might_ come from the setting of your cluster. In recent versions of the code, all files are read by just one processors, but in your version there might be still a few files (the xml data file is one of those) that are read by alI processors. Paolo On Thu, Jun 4, 2020 at

Re: [QE-users] Error when computing the band structure

2020-06-04 Thread Kenan Song
Dear Paolo, Do you mean that this problem comes from the settings of the cluster system, which restricts some CPUs from entering the .save folder? Thank you. Kind regards, Kenan Song On Thu, Jun 4, 2020 at 12:18 PM Paolo Giannozzi wrote: > The number of processors does not affect the reading

Re: [QE-users] Error when computing the band structure

2020-06-04 Thread Paolo Giannozzi
The number of processors does not affect the reading of data files, unless there are processors cannot access the disk where data files are stored. Paolo On Thu, Jun 4, 2020 at 4:07 AM Mostafa Marzouk < mostafamarzokphys...@gmail.com> wrote: > Dear Mr. Song, > I think this problem is related to

Re: [QE-users] Error when computing the band structure

2020-06-03 Thread Mostafa Marzouk
Dear Mr. Song, I think this problem is related to the number of tasks and nodes, *You can try to reduce the number of nodes from 8 to become 4 nodes*, and then let me know if the problem has been solved or not. Regards, Mostaf Marzouk On Thu, Jun 4, 2020 at 3:26 AM Kenan Song wrote: > Dear All,

[QE-users] Error when computing the band structure

2020-06-03 Thread Kenan Song
Dear All, I tried to compute the band structure but received error information. Here is my input file. &bands prefix='Bulk_Co3Sn2S2', outdir='./', filband='band.dat' no_overlap=.true. / Here is the error file. %% song