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Commit 004bd804 authored by cloirec's avatar cloirec
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gromacs : modification batch_large_BSG.slurm pour occigen avec tpr no eg

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......@@ -23,5 +23,5 @@ 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 -g -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s systWT250nsGr2018.tpr -deffnm bench280 -v -resethway
srun -n $SLURM_NTASKS gmx_mpi mdrun -g -pin off -notunepme -maxh 0.5 -ntomp $SLURM_CPUS_PER_TASK -nsteps 20000 -noconfout -s systWT250nsGr2018woEne.tpr -deffnm bench280 -v -resethway
grep Performance slurm* > results
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