VASP 5.3.2 running on IBM POWER7

Message

martonak · #1 Post by **martonak** » Mon Dec 03, 2012 12:27 am

I managed to compile VASP but I am all the time getting the following error (with or without scalapack) at the very beginning of the calculation

ZGEEV : 2538-2028
The job option argument (ARG NO. 1) must be 0, 1, or 2.

ZGEEV : 2538-2005
The size of the leading dimension (ARG NO. 6) of an array must be greater
than zero.

ZGEEV : 2538-2006
The number of rows (ARG NO.

of a matrix must be less than or equal
to the size of the leading dimension (ARG NO. 6) of its array.

ZGEEV : 2538-2099
End of input argument error reporting. For more information, refer to
Engineering and Scientific Subroutine Library Guide and Reference.

ZGEEV : 2538-2604
Execution terminating due to error count for error number 2099.

ZGEEV : 2538-2605
Message summary: 2005 - 1

ZGEEV : 2538-2605
Message summary: 2006 - 1

ZGEEV : 2538-2605
Message summary: 2028 - 1

ZGEEV : 2538-2605
Message summary: 2099 - 1

ZGEEV : 2538-2028
The job option argument (ARG NO. 1) must be 0, 1, or 2.

Does somebody have an idea what is going wrong?

Roman Martonak

martonak · #2 Post by **martonak** » Mon Dec 03, 2012 1:13 am

The problem is caused in file spinsym.F by conflicting names for the ZGEEV routine in essl and lapack and can be solved by separately compiling the routine zgeev.F from lapack and linking it before essl.