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. <div>remove mkl/2017.4 (LD_LIBRARY_PATH) remove impi/2017.4 (PATH, MANPATH, LD_LIBRARY_PATH) load mkl/2018.4 (LD_LIBRARY_PATH) load impi/2018.4 (PATH, MANPATH, LD_LIBRARY_PATH) Set INTEL compilers as MPI wrappers backend load boost/1.71.0 (LD_LIBRARY_PATH, LIBRARY_PATH, C_INCLUDE_PATH, CPLUS_INCLUDE_PATH, BOOST_ROOT) load LIBINT/2.6.0 (LD_LIBRARY_PATH, LIBRARY_PATH, C_INCLUDE_PATH, CPLUS_INCLUDE_PATH) load cp2k/7.1 (PATH, LD_LIBRARY_PATH) slurmstepd: error: Detected 2 oom-kill event(s) in step 19115868.0 cgroup. srun: error: s05r2b48: task 1: Out Of Memory srun: Terminating job step 19115868.0 slurmstepd: error: *** STEP 19115868.0 ON s05r2b43 CANCELLED AT 2021-12-13T11:26:50 *** slurmstepd: error: Detected 6 oom-kill event(s) in step 19115868.0 cgroup. [mpiexec@s05r2b43] control_cb (../../pm/pmiserv/pmiserv_cb.c:863): connection to proxy 0 at host s05r2b43 failed [mpiexec@s05r2b43] HYDT_dmxu_poll_wait_for_event (../../tools/demux/demux_poll.c:76): callback returned error status [mpiexec@s05r2b43] HYD_pmci_wait_for_completion (../../pm/pmiserv/pmiserv_pmci.c:520): error waiting for event [mpiexec@s05r2b43] main (../../ui/mpich/mpiexec.c:1157): process manager error waiting for completion real 4m9.730s user 0m0.026s sys 0m0.055s slurmstepd: error: Detected 6 oom-kill event(s) in step 19115868.batch cgroup. </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. 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>. 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">https://groups.google.com/d/msgid/cp2k/41133c0f-f4b7-450b-84a6-8ab50a0dd602n%40googlegroups.com</a>.