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

[Guntram Schmidt]

Dear Mike,

thanks for your comment.
I got it working now, using:

./configure LIBDIRS="/gpfs/usrurz/lapack/lapack-3.2.1 
/gpfs/usrurz/lib64" FC=xlf2003_r FCFLAGS="-qfree=f90 -C -g -qnosmp" 
MPIF90=mpfort LAPACK_LIBS="-L/gpfs/usrurz/lib64 -llapack"

However, I'm not quite sure on the meaning of all these parameters :-(.
I'm still wondering, wether the following lines are reasonable:
-----------------------------
The following libraries have been found:
   BLAS_LIBS=
   LAPACK_LIBS=-L/gpfs/usrurz/lib64 -llapack 
/gpfs/home/aasfu/espresso-4.3.1/lapack-3.2/lapack.a
   FFT_LIBS=-lessl
   MASS_LIBS= -lmassvp4_64 -lmass_64
--------------------------------

Woudn't the LAPACK_LIBS mean, that the quantum-espresso version 
overrides all commands/functions of the /gpfs/usrurz/lib64/llapack.a ?
Or is the priority the other way round?

Also I wonder, why BLAS_LIBS is empty - is it, because BLAS is included 
in LAPACK?

Thank you,
Guntram


Am 21.07.2011 14:46, schrieb Michael Sullivan:
> Guntram:
>
> I've never seen this error message, but if you can try to edit the make.sys file directly. Replace the LAPACK_LIBS flag to point to your own LAPACK and probably change LAPACK_LIBS_SWITCH to external. That said, though, I've found that usually if it can't find it, there's a reason.
>
> Good luck!
>
> Mike
> michael at ihpc.a-star.edu.sg
> http://www.sullivan.sg/
>
> On 21-Jul-2011, at 6:49 PM, Guntram Schmidt wrote:
>
>> 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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