mention to submit the gpu job to a gpu enabled queue

Author: pranabdas

espresso/gpu/job.cpu.pbs

@@ -19,7 +19,6 @@
 
 #PBS -N QE-GPU
 #PBS -j oe
-##PBS -q comp-002-zone-a-production-20160630-cluster-007.exabyte.io
 #PBS -l nodes=1
 #PBS -l ppn=8
 #PBS -l walltime=00:01:00:00

espresso/gpu/job.gpu.pbs

@@ -19,7 +19,6 @@
 
 #PBS -N QE-GPU
 #PBS -j oe
-##PBS -q comp-002-zone-a-production-20160630-cluster-007.exabyte.io
 #PBS -l nodes=1
 #PBS -l ppn=8
 #PBS -l walltime=00:01:00:00

lammps/README.md

@@ -12,7 +12,7 @@ License Version 2 (GPLv2).
 ## Examples
 
 ### Energy minimization
-An example calculation of energy minimization of two dimensional Lenard-Jones
+An example calculation of energy minimization of two dimensional Lennard-Jones
 melt is available und [emin](./emin) directory.
 
 ### LAMMPS+M3GNet

lammps/emin/job.pbs

@@ -42,6 +42,7 @@ module load lammps/12Dec2018-i-14.0.3.174-impi-5.0.2.044
 export LAMMPS_EXECUTABLE=lammps
 
 ## Uncomment the lines below module to enable the use of GPU-accelerated version
+## Also, please submit the job to a GPU enabled queue e.g., `#PBS -q GOF`
 # export LAMMPS_EXECUTABLE=lmp
 # module load lammps/2022.01.07-g-11.2.0-ompi-4.1.1-cuda-11.5
 # cp $PBS_NODEFILE .exabyte/$PBS_JOBID