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ali lahmer

does Abinit support all parralalisme level?

Dear all i would ask if the nanohub compiled abinit version support all parallalisme levels ( kpoints, band, FFT ..) because i have tried to run my work on 16 cores using paral_kgb 1 and npkbt 8 npband 1 npfft 2 bandpp 1 in the input file which normaly run perfectly on 16 cores however the work stop only just a few minutes with error message ‘ bad prcess’, i note that simulation use 8 K points so for this reason i would ask if it is possible to use these parameteres and if it is possible to use more ccpu cores since i find that abinit use only parallalisme over k points best regards

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    Benjamin P Haley

    Hi Ali,



       I'm sorry for the long delay in responding to your question.  In the future, you can submit a ticket, using the "Help" button on the nanoHUB navigation bar; these tickets are much more visible than questions.  The ABINIT tool supports all input options, but the number of cores is currently limited to 16.  I will ask the decision makers if we can remove this restriction; if possible, how many cores would you like to use?  Larger jobs will probably lead to longer waits in the queues.

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