Template:HPC-torque-qe/testcases

No parameter

Wiki code

{{HPC-torque-qe}}

Main version

FILE torque-qe.sh

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

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

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameter: lang=bash

Wiki code

{{HPC-torque-qe|lang=bash}}

Main version

FILE torque-qe.sh

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

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

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameter: lang=bash, filename={{HPC-Samples-Dir|flory}}/torque-qe.sh

Wiki code

{{HPC-torque-qe|lang=bash|filename={{HPC-Samples-Dir|flory}}/torque-qe.sh}}

Main version

FILE /home/bgo/shared/samples/torque-qe.sh

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

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

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameter: title=Here is the file

Wiki code

{{HPC-torque-qe|title=Here is the file}}

Main version

FILE torque-qe.shHere is the file

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

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

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameters: lang=bash, title=Here is the file

Wiki code

{{HPC-torque-qe|lang=bash|title=Here is the file}}

Main version

FILE torque-qe.shHere is the file

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

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

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameter: inputfile=zno.scf

Wiki code

{{HPC-torque-qe|inputfile=zno.scf}}

Main version

FILE torque-qe.sh

#PBS -l walltime=10:00:00,nodes=1:ppn=16
##PBS -M EmailAddress
##PBS -m bae
#PBS -q default
#PBS -N Jobname
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=pw.x

. $(which qe-config)

# The input file must have a '.qei' extension (e.g., mysimulation.qei).
INPUTFILE=zno.scf

doQE

Sandbox version Template:HPC-torque-qe/sandbox

Parameters: email=me@example.com, jobname=ZnO, module=ph.x, inputfile=zno.ph

Wiki code

{{HPC-torque-qe|email=me@example.com|jobname=ZnO|module=ph.x|inputfile=zno.ph}}

Main version

FILE torque-qe.sh

#PBS -l walltime=10:00:00,nodes=1:ppn=16
#PBS -M me@example.com
#PBS -m bae
#PBS -q default
#PBS -N ZnO
#PBS -o myoutput.txt
#PBS -j oe

QE_MODULE=ph.x

. $(which qe-config)

# The input file must have a '.qei' extension (e.g., mysimulation.qei).
INPUTFILE=zno.ph

doQE

Sandbox version Template:HPC-torque-qe/sandbox