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No Format
#!/bin/bash

#PBS -N cuda
#PBS -l walltime=100:00:00
#PBS -l select=1:ncpus=1:mem=15gb2gb:ngpus=1,walltime=01:00:00
#PBS -W group_list=gpu
#PBS -q gpu
 gpuq2
cd $PBS_O_WORKDIR
source $HOME/.bashrc
module load cudaanaconda3/4.0.172022.10
source activate TorchA100
echo "Hello from $HOSTNAME: date = `date`"
nvcc --version
echo "Finished at `date`"

sample 2

No Format
#!/bin/bash -l
#PBS -m abe
#PBS -M emailaddress@griffith.edu.au
#PBS -N CudaJob
#PBS -q gpu
#PBS -l select=21:ncpus=2:mem=2gb:ngpus=1
#PBS -W group_list=gpu
cd $PBS_O_WORKDIR
source $HOME/.bashrc
module load NAMD/NAMD28b1
module load  mpi/intel-4.0

echo "Starting job"
mpirun -r ssh  -n 2 namd2 +idlepoll /export/home/s2594054/pbs/namd/apoa1/namd/apoa1.namd > apoa1.namd.log
echo "Done with job"

...

No Format
cudnn-10.0
============
tar -zxvf cudnn-10.0-linux-x64-v7.6.5.32.tgz 
cuda/include/cudnn.h
cuda/NVIDIA_SLA_cuDNN_Support.txt
cuda/lib64/libcudnn.so
cuda/lib64/libcudnn.so.7
cuda/lib64/libcudnn.so.7.6.5
cuda/lib64/libcudnn_static.a

cp cuda/include/cudnn.h /usr/local/cuda-10.0/include/
cp cuda/lib64/libcudnn* /usr/local/cuda-10.0/lib64
chmod a+r /usr/local/cuda-10.0/include/cudnn.h /usr/local/cuda-10.0/lib64/libcudnn*


cudnn-10.1
==========

cd /tmp; tar -zxvf cudnn-10.1-linux-x64-v7.6.5.32.tgz
cp cuda/include/cudnn.h /usr/local/cuda-10.1/include/
cp cuda/lib64/libcudnn* /usr/local/cuda-10.1/lib64
 chmod a+r /usr/local/cuda-10.1/include/cudnn.h /usr/local/cuda-10.1/lib64/libcudnn*

cudnn-10.2
==========

tar -zxvf cudnn-10.2-linux-x64-v7.6.5.32.tgz 
cp cuda/include/cudnn.h /usr/local/cuda-10.2/include/
cp cuda/lib64/libcudnn* /usr/local/cuda-10.2/lib64
chmod a+r /usr/local/cuda-10.2/include/cudnn.h /usr/local/cuda-10.2/lib64/libcudnn*


Sample pbs script to run on n061 - gpuq2


No Format
#!/bin/bash
#PBS -m abe
#PBS -M emailaddress@griffith.edu.au
#PBS -N CudaJob
#PBS -q gpuq2
#PBS -l select=1:ncpus=1:mem=2gb:ngpus=1,walltime=01:00:00
cd $PBS_O_WORKDIR
source $HOME/.bashrc
module load anaconda3/2022.10
source activate TorchA100

echo "Starting job"
python isCuda
echo "Done with job"