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pandoc:introduction-to-mul-cluster:01_introduction:05_user_software [2018/01/31 13:54] – Pandoc Auto-commit pandocpandoc:introduction-to-mul-cluster:01_introduction:05_user_software [2020/10/20 08:09] (current) – Pandoc Auto-commit pandoc
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 ==== Job script ==== ==== Job script ====
 +
 +''%%/opt/ohpc/pub/examples/slurm/mul/vasp%%''
  
 <code> <code>
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 #SBATCH --ntasks-per-node=28 #SBATCH --ntasks-per-node=28
 #SBATCH --threads-per-core=1 #SBATCH --threads-per-core=1
 +#SBATCH --mem=16G
  
 export OMP_NUM_THREADS=1 export OMP_NUM_THREADS=1
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 </code> </code>
 +
 +----
 +
 +====== LAMMPS ======
 +
 +===== LAMMPS =====
 +
 +''%%/opt/ohpc/pub/examples/slurm/mul/lammps%%''
 +
 +<code>
 +#!/bin/bash
 +#
 +#SBATCH -J lammps 
 +#SBATCH -N 2
 +#SBATCH -o job.%j.out
 +#SBATCH -p E5-2690v4
 +#SBATCH -q E5-2690v4-batch
 +#SBATCH --ntasks-per-node=28
 +#SBATCH --threads-per-core=1
 +#SBATCH --mem=16G
 +
 +module purge
 +module load lammps
 +
 +mpirun -np $SLURM_NTASKS lmp_mul -in ./in.put
 +</code>
 +
 +----
 +
 +====== Wien2k ======
 +
 +
 +----
 +
 +===== Wien2k =====
 +
 +Example job script in:
 +
 +<code>
 +/opt/ohpc/pub/examples/slurm/mul/wien2k
 +</code>
 +
 +----
 +
 ====== COMSOL ====== ====== COMSOL ======
  
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 ==== Job script threaded version (no MPI) ==== ==== Job script threaded version (no MPI) ====
  
-You can use only one node in this case. Create a job file called ''%%job.sh%%'':+You can use only one node in this case. Create a job file called ''%%job_smp.sh%%'': 
 + 
 +''%%/opt/ohpc/pub/examples/slurm/mul/comsol%%''
  
 <code> <code>
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 #SBATCH --threads-per-core=1 #SBATCH --threads-per-core=1
 #SBATCH --time=04:00:00 #SBATCH --time=04:00:00
 +#SBATCH --mem=16G
  
 # Details of your input and output files # Details of your input and output files
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 ==== Job script with MPI ==== ==== Job script with MPI ====
  
-You can use more than one node in this case. Create a job file called ''%%job.sh%%'':+You can use more than one node in this case. Create a job file called ''%%job_mpi.sh%%'': 
 + 
 +''%%/opt/ohpc/pub/examples/slurm/mul/comsol%%''
  
 <code> <code>
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 #SBATCH --threads-per-core=1 #SBATCH --threads-per-core=1
 #SBATCH --time=04:00:00 #SBATCH --time=04:00:00
 +#SBATCH --mem=16G
  
 # Details of your input and output files # Details of your input and output files
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 <code> <code>
-sbatch job.sh+sbatch job_xyz.sh
 </code> </code>
  
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 Create a journal file (fluent.jou) which is written in a dialect of Lisp called Scheme and contains all the instructions that are to be executed during the run. A basic form of this file, is as follows: Create a journal file (fluent.jou) which is written in a dialect of Lisp called Scheme and contains all the instructions that are to be executed during the run. A basic form of this file, is as follows:
 +
 +''%%/opt/ohpc/pub/examples/slurm/mul/ansys%%''
  
 <code> <code>
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 #SBATCH --threads-per-core=1 #SBATCH --threads-per-core=1
 #SBATCH --time=04:00:00 #SBATCH --time=04:00:00
 +#SBATCH --mem=16G
  
 module purge module purge
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 #SBATCH --threads-per-core=1 #SBATCH --threads-per-core=1
 #SBATCH --time=04:00:00 #SBATCH --time=04:00:00
 +#SBATCH --mem=16G
  
 module purge module purge
-module load ANSYS-Fluent/17.1+module load ANSYS-Fluent/18.1
  
 JOURNALFILE=fluent.jou JOURNALFILE=fluent.jou
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 ==== Sample job script ==== ==== Sample job script ====
 +
 +''%%/opt/ohpc/pub/examples/slurm/mul/abaqus%%''
  
 <code> <code>
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 #SBATCH -J abaqus #SBATCH -J abaqus
 #SBATCH -N 2 #SBATCH -N 2
 +#SBATCH -o job.%j.out
 +#SBATCH -p E5-2690v4
 +#SBATCH -q E5-2690v4-batch
 #SBATCH --ntasks-per-node=8 #SBATCH --ntasks-per-node=8
 +#SBATCH --mem=16G
  
 module purge module purge
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 ---- ----
 +
  
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  • Last modified: 2018/01/31 13:54
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