A standard submission script for rescomp
#!/bin/bash
#$ -cwd -V -N relion -j y
#$ -P strubi.prjc -q relion1.qe
#$ -pe XXXqueueXXX XXXmpinodesXXX
#$ -e XXXerrfileXXX
#$ -o XXXoutfileXXX
mpirun -n XXXmpinodesXXX XXXcommandXXX
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Copy the above submission script into a new file e.g. submit.sh
Simply enter submit.sh under the script box in the relion gui.
Note that this automatically submits to relion1.qe, where there are 24 cores per node and for one thread jobs.
It is therefore important to submit jobs requesting a multiple of 24 cores (mpi nodes).
In cases where the queue looks particularly busy, relion1.qe is sometimes available. Here 24 cores are at your disposal.
HMEDit 2021/07/19