Dear Siesta users, I want to calculate the Born effective charge in a unit cell of SnO2. Since I am running in parallel, so it gives the following error
Error in Cholesky factorisation in cdiag
But with single processor doesn't gives any error.
I saw the the mailing archives, where it is written, it a general problem in
mkl libraries
But I am using AIX IBM machines with mpxlf compiler and libraries.
So can any body tell me what the problem is?
Bipul Rakshit
SRF DAE-BRNS
Computational Research Lab.
Barkatullah University,
Bhopal 462 026, India
Mob.: +919406540952
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sno2.out
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