Template:HPC-torque-lmp/testcases

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No parameter
Wiki code {{HPC-torque-lmp}}

Main version
FILE torque-lmp.sh
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=mysimulation

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameter: lang=bash
Wiki code {{HPC-torque-lmp|lang=bash}}

Main version
FILE torque-lmp.sh
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=mysimulation

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameters: lang=bash, filename={{HPC-Samples-Dir|flory}}/torque-lmp.sh
Wiki code {{HPC-torque-lmp|lang=bash|filename={{HPC-Samples-Dir|flory}}/torque-lmp.sh}}

Main version
FILE /home/bgo/shared/samples/torque-lmp.sh
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=mysimulation

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameter: title=Here is the file
Wiki code {{HPC-torque-lmp|title=Here is the file}}

Main version
FILE torque-lmp.shHere is the file
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=mysimulation

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameters: lang=bash, title=Here is the file
Wiki code {{HPC-torque-lmp|lang=bash|title=Here is the file}}

Main version
FILE torque-lmp.shHere is the file
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=mysimulation

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameter: inputfile=ellipse.gayberne
Wiki code {{HPC-torque-lmp|inputfile=ellipse.gayberne}}

Main version
FILE torque-lmp.sh
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=ellipse.gayberne

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
Parameters: email=me@example.com, jobname=ellipse-lmp, inputfile=ellipse.gayberne
Wiki code {{HPC-torque-lmp|email=me@example.com|jobname=ellipse-lmp|inputfile=ellipse.gayberne}}

Main version
FILE torque-lmp.sh
#PBS -l walltime=10:00:00,mem=15gb,nodes=1:ppn=16
#PBS -M me@example.com
#PBS -m bae
#PBS -q default
#PBS -N ellipse-lmp
#PBS -o myoutput.txt
#PBS -j oe

. $(which lmp-config)

# The LAMMPS input file must have a '.lmp' extension (e.g., mysimulation.lmp).
INPUTFILE=ellipse.gayberne

doLAMMPS
Sandbox version Template:HPC-torque-lmp/sandbox
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