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Commit b8f21553 authored by cloirec's avatar cloirec
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gromacs : modif batch_small_ion_channel.slurm

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Gromacs/machines/occigen-bdw/batch_small_ion_channel.slurm
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......@@ -20,7 +20,6 @@ export GMXDATA=GROMACS_HOME/share/gromacs
export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
export KMP_HW_SUBSET=1T
export OMP_NUM_THREADS=$SLURM_CPUS_PER_TASK
export KMP_AFFINITY=compact,1,0,granularity=fine
srun -n $SLURM_NTASKS gmx_mpi mdrun -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s ion_channel.tpr -deffnm small_ion_channel -resethway
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