LAMMPS: Difference between revisions

Marked this version for translation
(update sample jobs to StdEnv/2020)
(Marked this version for translation)
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#!/bin/bash
#!/bin/bash


<!--T:61-->
#SBATCH --ntasks=1
#SBATCH --ntasks=1
#SBATCH --mem-per-cpu=2500M
#SBATCH --mem-per-cpu=2500M
#SBATCH --time=0-00:30
#SBATCH --time=0-00:30


<!--T:62-->
module load StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 lammps-omp/20210929
module load StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 lammps-omp/20210929


<!--T:63-->
lmp < lammps.in > lammps_output.txt
lmp < lammps.in > lammps_output.txt
}}
}}
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#!/bin/bash
#!/bin/bash


<!--T:64-->
#SBATCH --ntasks=4
#SBATCH --ntasks=4
#SBATCH --mem-per-cpu=2500M
#SBATCH --mem-per-cpu=2500M
#SBATCH --time=0-00:30  
#SBATCH --time=0-00:30  


<!--T:65-->
module load StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 lammps-omp/20210929
module load StdEnv/2020 intel/2020.1.217 openmpi/4.0.3 lammps-omp/20210929


<!--T:66-->
srun lmp < lammps.in > lammps_output.txt
srun lmp < lammps.in > lammps_output.txt
}}
}}
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