[Pw_forum] How to convince QE from local lapack/blas?

Guntram Schmidt guntram.schmidt at chemie.uni-halle.de
Thu Jul 21 12:49:01 CEST 2011


Dear All,

after getting strange error-messages, which might be related to 
lapack/blas (
DSYGV : 2538-2015
The number of elements (ARG NO. 11) in a work array must be greater than
or equal to (2048).
)
I'd like to use "our own" lapack/blas.
Unfortunately QE won't find/accept them - what's the right way, to help it?

I tried:
  ./configure MPIF90=mpfort LIBDIRS="/gpfs/usrurz/lapack/lapack-3.2.1"
with

:/gpfs/usrurz/lapack/lapack-3.2.1> ls
BLAS               CCI_README     Makefile                   README
cci                ccisrc.tar     make.inc                   README_hh
cci.log            INSTALL        make.inc.example           SRC
CCI_NOTES          lapack_pwr6.a  make.inc.old               TESTING
CCI_QUICK_INSTALL  LICENSE        make.log_pwr6_xlf_q64_cci  tmglib_pwr6.a

yielding a quite promising directory of an installed lapack/blas?

But QE insists on its own libraries.

The system is an IBM 575 with Power-Linux=SLES11_on_Power and the only 
information I found is this here:
http://www2.fz-juelich.de/jsc/jump/usage/FAQ/essl/


Any ideas on this?
Thanks a lot,
Guntram



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