error encounter while linking essl on IBM!

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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jason

error encounter while linking essl on IBM!

#1 Post by jason » Wed Feb 02, 2005 2:19 pm

Hi,


recently, I am trying to port VASP on our IBM power4 farm, I used to
compiled VASP based on vasp.lib which wrapped several lapack routines and
didnt have leading dimension error before. However, when alternate using
ESSL and add extra option flags -Dessl to the CPP preprocessor, testing
job have fail with the following error msg:

-----------------------------------------------------------------------------
DGEGV : 2538-2029
The job option argument (ARG NO. 1) must be 0 or 1.

DGEGV : 2538-2006
The number of rows (ARG NO. 10) of a matrix must be less than or equal
to the size of the leading dimension (ARG NO. 3) of its array.

DGEGV : 2538-2006
The number of rows (ARG NO. 10) of a matrix must be less than or equal
to the size of the leading dimension (ARG NO. 5) of its array.

DGEGV : 2538-2099
End of input argument error reporting. For more information, refer to
Engineering and Scientific Subroutine Library Guide and Reference
(SA22-7272).

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

DGEGV : 2538-2605
Message summary: 2006 - 2

DGEGV : 2538-2605
Message summary: 2029 - 1

DGEGV : 2538-2605
Message summary: 2099 - 1
-----------------------------------------------------------------------------

next time, I tried to dump the maxit from vasp and check if leading dimension of dynamical allocated array do larger than maxit but fails into another essl error.

I am wondering why alternate linking essl could bring lots of errors that are not encountered before (I used to link vasp.lib).

Thanks in advance.


BR,
J
Last edited by jason on Wed Feb 02, 2005 2:19 pm, edited 1 time in total.

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error encounter while linking essl on IBM!

#2 Post by admin » Tue Feb 22, 2005 3:27 pm

The reason for that error is that the calling sequence of the parameters is different in the
ESSL-version of some library routines, including DGEGV. Calls to DGEGV are in
subroutines broyden and dynbr.
If you want to use the ESSL library, please
set
#define essl
in the .F files and recompile to guarantee the calls will be done with the appropriate sequence
of calling parameters.
Last edited by admin on Tue Feb 22, 2005 3:27 pm, edited 1 time in total.

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