[Wien] the error information of lapw1
hui li
huilicn at yahoo.com
Fri Sep 14 05:44:10 CEST 2007
Dear Sir:
I used WIEN2k_07.2 on a PC (AMD 64 Athlon CPU) with
Redhat Fedora 6.0 operation system.In this PC, there
had 2GB SDRAm and 4GB swap.The operation system only
had Fortran77 (f77) compiler. So, I used exectuable
code directly. My research is to do SCF calculation
and accquire charge density. But during the
calculation, the program stopped in the step of lapw1
with the information as follows:
Cholesky INFO = 5988
'SECLR4' - POTRF (Scalapack/LAPACK) failed.
My model just need less then 1.8G memory, and the swap
(4GB) was free during the calculation. Thank you very
much.
Best wishes
Dr. Hui Li
Beijing University of Technology
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