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How to determine the matrix size of padded Hamiltonian (Padding Hamiltonian Matrix)

Open tsuyoshi38 opened this issue 1 year ago • 5 comments

When the code is available to treat the padded Hamiltonian matrix, we should set the good value for block_size_r (and block_size_c).

First,

  1. Manually Given or Default Setting:
  • Deafult setting for block_size_r and block_size_c should be given

  • [ ] - block_size_r ~ 20 (suggested from our test calculations, though depends on hardware.)

  • Is it okay to assume that block_size_r = block_size_c

  • How to set proc_rows and proc_cols ?

  • [ ] - we may be able to follow the present method.

  • [ ] - But, see the constraints for ELPA shown below.

  1. Constraints in Scalapack
  2. Constraints in ELPA
    1. block_size_r = block_size_c
    2. proc_cols = M (integer) x proc_rows
    3. ?? needs more than 1 blocks in the corresponding column or row. ??

tsuyoshi38 avatar Jul 20 '23 05:07 tsuyoshi38