[Pw_forum] rdiaghg in pw.x -- NEB

[aaron at chips.ncsu.edu]

Hi,

I am getting the following error in the january '05 release of ESPRESSO.  
The calculation is an neb.  The platform is ibm-sp4.  The offended routine
is a library call in lapack (essl I believe).  In the flow of neb this
happens after the first set of energies are calculated.  A few images are
converged and then one fails.  Any suggestions?

DPOTRF : 2538-2148
The matrix (ARG NO. 3) is not positive definite.
The leading minor of order (205) has a nonpositive determinant.

 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from rdiaghg : error #       410
     info =/= 0
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


Thanks

Aaron