[Wien] lapw1 problem after supercell
=?iso-2022-jp?B?GyRCMiZaXxsoQg==?=
hao at qs.t.u-tokyo.ac.jp
Thu May 11 06:29:07 CEST 2006
Dear all:
I checked the SRC_lapw1 dir, according to error message, in the seclr4.F
file I found the error message related to parallel library routine PDPOTRF
by INFO parameter. I wonder if the name of this routine in seclr4.F is
called only by scalapack. In my compilation, I used mkl_lapack.a, not
mkl_scalapack.a, am I wrong? Please give me some advice. (the error message
and problem description is in “lapw0 problem after supercell” thread
above).
Thank you very much.
Best wishes
Hao
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060511/1b5b3a35/attachment.html
More information about the Wien
mailing list