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 >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > > "1991-2011 - Creating Growth, Enhancing Lives. Commemorating A*STAR's 20 > Years of Science, Technology and Research in Singapore." > > IHPC Values :: Impact :: Honesty :: Performance :: Co-operation > This email is confidential and may be privileged. If you are not the intended > recipient, please delete it and notify us immediately. Please do not copy or > use it for any purpose, or disclose its contents to any other person. Thank > you. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
