Skip to content

Parameter 4 was incorrect on entry to ZLACPY #26

@correaa

Description

@correaa

Qball in Quartz is giving this strange message, it looks like Lapack is called with the wrong flags (but still runs).

  <etotal_int scf_iter="199">   1855.08956212 </etotal_int>
  <eigenvalue_sum> 537.19408940 </eigenvalue_sum>
  <!-- Anderson extrapolation: theta = -0.12079958 ( using -0.12079958 ) -->

Intel MKL ERROR: Parameter 4 was incorrect on entry to ZLACPY.

Intel MKL ERROR: Parameter 4 was incorrect on entry to ZLACPY.

Intel MKL ERROR: Parameter 4 was incorrect on entry to ZLACPY.

This is the input:

set force_complex_wf ON
set nrowmax 32
54_LDA.sys                                     # load system
set xc LDA
set ecut 30 rydberg
set wf_dyn PSDA
set ecutprec 4 rydberg
set nempty 30
set smearing fermi
set smearing_width 350 kelvin
set charge_mix_coeff 0.6
randomize_wf
set threshold_scf 1e-6 4
status
run 0 200 5

This are related links:
https://software.intel.com/en-us/mkl-developer-reference-fortran-2018-beta-lacpy
https://software.intel.com/en-us/forums/intel-math-kernel-library/topic/299717

It seems that maybe a matter of recompiling qball with a more recent version of MKL.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions