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Glenn (Gedaliah) Wolosh, Ph.D. Ass't Director Research Software and Cloud Computing Acad & Research Computing Systems gwo...@njit.edu • (973) 596-5437 A Top 100 National University U.S. News & World Report |
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<oneapi.PNG>
Glenn (Gedaliah) Wolosh, Ph.D. Ass't Director Research Software and Cloud Computing Acad & Research Computing Systems gwo...@njit.edu • (973) 596-5437 A Top 100 National University U.S. News & World Report |
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$ docker run -it intel/oneapi-runtime bash
root@9f51d9ca772d:/# find . -iname "*vars*" -type f
./lib/init/vars.sh
./opt/intel/oneapi/lib/env/compiler_rt_vars.sh
./usr/share/perl5/Dpkg/Vars.pm
./usr/share/perl5/Dpkg/Substvars.pm
./usr/share/perl/5.26.1/vars.pm
./usr/lib/x86_64-linux-gnu/perl/5.26.1/CORE/perlvars.h
./usr/lib/x86_64-linux-gnu/perl-base/vars.pm
$ docker run -it intel/oneapi-hpckit bash
root@955d496c4ecd:/# source ./opt/intel/oneapi/setvars.sh
root@955d496c4ecd:/# which mpirun
/opt/intel/oneapi/mpi/2021.4.0//bin/mpirun
root@955d496c4ecd:/# which icc
/opt/intel/oneapi/compiler/2021.4.0/linux/bin/intel64/icc
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sudo bash l_BaseKit_p_2021.4.0.3422_offline.sh
$ sudo singularity build lammps.sif lammps.def
$ cat lammps.defBootStrap: dockerFrom: ubuntu:20.04
%environmentsource /opt/intel/oneapi/setvars.sh --force%apprun lammpsmpirun --versionmpiexec.hydra --version~
$ singularity run --writable-tmpfs -B /opt/intel --app lammps lammps.sif
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