<div dir="ltr">Thanks, I will try this out.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Dec 14, 2021 at 8:59 AM Fabian Ducry <<a href="mailto:fabianducry@gmail.com">fabianducry@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
  
    
  
  <div>
    <p>Hi,</p>
    <p>Cp2k runs out of memory (srun: error: s05r2b48: task 1: Out Of
      Memory). You have to increase the memory that is available to
      cp2k. The easiest way is to reduce the number of mpi ranks per
      node until the error disappears.</p>
    <p>Cheers,</p>
    <p>Fabian<br>
    </p>
    <div>On 14.12.2021 07:42, ASSIDUO Network
      wrote:<br>
    </div>
    <blockquote type="cite">
      
      Hi there, I am trying to use the following input file (attached)
      to run a NEB Band calculation, but I am not getting the positions
      outputted, on top of that, I am getting the following error. I
      would appreciate any help to resolve this issue.<br>
      <br>
      <div>remove mkl/2017.4 (LD_LIBRARY_PATH)<br>
        remove impi/2017.4 (PATH, MANPATH, LD_LIBRARY_PATH)<br>
        load mkl/2018.4 (LD_LIBRARY_PATH)<br>
        load impi/2018.4 (PATH, MANPATH, LD_LIBRARY_PATH)<br>
        Set INTEL compilers as MPI wrappers backend<br>
        load boost/1.71.0 (LD_LIBRARY_PATH, LIBRARY_PATH,
        C_INCLUDE_PATH,<br>
        CPLUS_INCLUDE_PATH, BOOST_ROOT)<br>
        load LIBINT/2.6.0 (LD_LIBRARY_PATH, LIBRARY_PATH,
        C_INCLUDE_PATH,<br>
        CPLUS_INCLUDE_PATH)<br>
        load cp2k/7.1 (PATH, LD_LIBRARY_PATH)<br>
        slurmstepd: error: Detected 2 oom-kill event(s) in step
        19115868.0 cgroup.<br>
        srun: error: s05r2b48: task 1: Out Of Memory<br>
        srun: Terminating job step 19115868.0<br>
        slurmstepd: error: *** STEP 19115868.0 ON s05r2b43 CANCELLED AT
        2021-12-13T11:26:50 ***<br>
        slurmstepd: error: Detected 6 oom-kill event(s) in step
        19115868.0 cgroup.<br>
        [mpiexec@s05r2b43] control_cb
        (../../pm/pmiserv/pmiserv_cb.c:863): connection to proxy 0 at
        host s05r2b43 failed<br>
        [mpiexec@s05r2b43] HYDT_dmxu_poll_wait_for_event
        (../../tools/demux/demux_poll.c:76): callback returned error
        status<br>
        [mpiexec@s05r2b43] HYD_pmci_wait_for_completion
        (../../pm/pmiserv/pmiserv_pmci.c:520): error waiting for event<br>
        [mpiexec@s05r2b43] main (../../ui/mpich/mpiexec.c:1157): process
        manager error waiting for completion<br>
        <br>
        real    4m9.730s<br>
        user    0m0.026s<br>
        sys     0m0.055s<br>
        slurmstepd: error: Detected 6 oom-kill event(s) in step
        19115868.batch cgroup.<br>
      </div>
      -- <br>
      You received this message because you are subscribed to the Google
      Groups "cp2k" group.<br>
      To unsubscribe from this group and stop receiving emails from it,
      send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br>
      To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/41133c0f-f4b7-450b-84a6-8ab50a0dd602n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/41133c0f-f4b7-450b-84a6-8ab50a0dd602n%40googlegroups.com</a>.<br>
    </blockquote>
  </div>


<p></p>

-- <br>
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br>
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/3F3bBILQQe4/unsubscribe" target="_blank">https://groups.google.com/d/topic/cp2k/3F3bBILQQe4/unsubscribe</a>.<br>
To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/7ac319c5-94ee-f078-c6ce-c11bed965f02%40gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/7ac319c5-94ee-f078-c6ce-c11bed965f02%40gmail.com</a>.<br>
</blockquote></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAKur15_3Yq-RRhLm9Sj76Hs1v-pfumpqYdFHpJ2QrtuD34dn2g%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAKur15_3Yq-RRhLm9Sj76Hs1v-pfumpqYdFHpJ2QrtuD34dn2g%40mail.gmail.com</a>.<br />