Lammps intel compiler openmpi compilation

  1. wget https://github.com/lammps/lammps/archive/stable_22Aug2018.tar.gz
  2. tar zxvf stable_22Aug2018.tar.gz
  3. cd lammps-stable_22Aug2018/src
  4. for i in BODY CLASS2 COLLOID DIPOLE GRANULAR KSPACE MANYBODY MISC MOLECULE MPIIO RIGID USER-COLVARS USER-MISC USER-PHONON USER-REAXC; do make yes-$i; done
  5. ml load compiler/intel/16 openmpi/3.1
  6. cd ../lib/colvars/
  7. make -j 8 -f Makefile.mpi
  8. cd ../../src
  9. make -j 8 icc_openmpi

Updated:

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