Posted by Dongwen Zhang on October 10, 2012 at 11:42:21:
In Reply to: dcopy bug in MKL/ACML on opteron machines posted by Steven Vancoillie on October 03, 2012 at 11:28:28:
: There is a bug present in the dcopy subroutine (and possibly other ?copy routines) in the integer*4 ACML 64-bit library as of version 4.3.0 (4.2.0 works fine), and in both the integer*4 and integer*8 MKL 64-bit libraries as of version 10.2 (I think, in any case 10.1.3.027 works fine). The bug occurs only on Opteron processors.
: This bug can affect you if you (1) use opteron machines, (2) use one of the newer ACML or MKL BLAS libraries, and (3) run a big calculation AND use a large MOLCASMEM
: I noticed the bug when using Cholesky decomposition, but there could be other places where this occurs.
ThanksŁ¬happy everyday! I was also interested in Cholesky decomposition. I hope oneday this method will help Molcas to perform calculation on large systems.