Problem with ScaLAPACK

Total energy, DFT+U, BigDFT,...

Moderator: amadon

Post Reply
Posts: 64
Joined: Fri Apr 11, 2014 3:44 pm

Problem with ScaLAPACK

Post by sheng » Thu Sep 15, 2016 5:48 am

Dear all,

Once in a while my calculation will be interrupted with the error

Code: Select all

--- !ERROR
src_file: m_slk.F90
src_line: 2264
mpi_rank: 36
message: |
    Problem to compute eigenvalues and eigenvectors with ScaLAPACK, INFO=     1

There seems to be no problem with my input file, and I can complete the calculation without using paralkgb=1.
My version of scalapck is the one included with intel 15.0 compiler suite MKL library.


Post Reply