Do you mean that with a fresh directory it works fine without mpi, fails with mpi or what?
If it works fine without mpi, not with mpi then you have something wrong with your mpi and should talk to a sys admin to check your compilation options and what mpi to use. This is starting to sound like you made an error in your initialization. On Sat, Sep 24, 2016 at 10:24 AM, Paresh Chandra Rout < pareshchan...@iiserb.ac.in> wrote: > Hello Sir, > > I also tried with the new mixer but did not improve anything. I started > with a fresh directory but in headnode of HPC with k-point paralleisation > (i.e sequentialy) and it works fine. > > On Sat, Sep 24, 2016 at 7:47 PM, Laurence Marks <l-ma...@northwestern.edu> > wrote: > >> Dear Lyudmila, >> >> From the output files the bug appears to be something real in the current >> web version of the mixer, as I cannot see anything catastrophically wrong >> in his output files. I am trying to track it down with Paresh, there is at >> least one thing odd with the HPC system he is using (it does not like the >> includes in W2kutils.c) so might well be a system/compiler specific issue. >> >> On Sat, Sep 24, 2016 at 9:11 AM, Lyudmila Dobysheva <lyuk...@mail.ru> >> wrote: >> >>> 24.09.2016 00:31, Paresh Chandra Rout : >>> >>> I cannot find in your discussion some info: >>> 1) does error repeat in sequential (not parallel) mode? >>> 2) parallel over k-points (not mpi)? >>> 3) it is when one k-point? what happens when several is taken? >>> 4) put simply in terminal the task (not in a batch mode), what is >>> written? >>> 5) are all error files empty? >>> >>> To check all this, start with a fresh directory. >>> >>> Best wishes >>> Lyudmila Dobysheva >>> ------------------------------------------------------------------ >>> Phys.-Techn. 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