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create a /.local/bin directory if not exists
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naik-aakash authored Dec 8, 2024
1 parent 1b785b5 commit 2af91eb
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion Dockerfile
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Expand Up @@ -70,9 +70,10 @@ RUN git clone https://github.com/brucefan1983/GPUMD.git && \
git checkout v3.9.5 && \
cd src && \
make CFLAGS="-std=c++14 -O3 -arch=sm_72" -j4 && \
mkdir -p /root/.local/bin/ && \
mv gpumd nep /root/.local/bin/ && \
cd ../.. && \
rm -fr GPUMD
rm -rf GPUMD

# Install LAMMPS (rss)
RUN curl -fsSL https://download.lammps.org/tars/lammps-29Aug2024_update1.tar.gz -o /opt/lammps.tar.gz \
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