Compiling MPQC V2 Libraries

• Libraries

  • BLAS
  • LAPACK
  • Pthreads (only needed for multi-threaded parallel capability)
  • MPI (only needed for parallel capability)
  • MP2 and MP2-R12 require one of:
    • Thread safe MPI
      • Beware of MPI's that poll, this can affect performance
    • ARMCI

Notes: