generation of species in parallel (MPI)

2011-09-16
2014-01-25
  • Marcin Dulak

    Marcin Dulak - 2011-09-16

    Hi,

    it seems that generation of species (inside a real job, using species keywords) does not work in parallel with MPI.
    Probably you won't see the problem on single machine,
    but you will see it from time to time with asynchronous nfs.
    Should be easy to fix: generate the species on on the master rank.

    Marcin

     
  • John Kay Dewhurst

    Dear Marcin,

    Thanks for pointing that out. I'll fix that for the next release.

    Cheers,
    Kay.

     
  • Marcin Dulak

    Marcin Dulak - 2014-01-25

    I looks like the problem with running jobs in parallel/mpi with species keyword is still there (elk-2.2.10). In the elk.in:

    ...
    species
    76
    'Os' 'osmium'
    190.23
    2.8
    22
    1 0 1 2
    ...

    gives:

    Using MPI, number of processes : 2
    Info(genspecies): running Z = 76, (osmium)

    Error(readinput): invalid block name : 76

     

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