[Pw_forum] QE 6.0 major include changes?

Downs, Andrew S CTR USARMY ARL (US) andrew.s.downs3.ctr at mail.mil
Thu Oct 27 17:30:49 CEST 2016


Hello All,

I'm trying to compile (ideally) QE 6.0 on a Cray XC-40 with the intel 16 compiler.  I tried to diagnose a linking issue that showed many undefined references (I'm sure I'm not setting up make.inc correctly) but even after I tried making several drastic changes, I kept running into the same issue with undefined references.  I gave up and tried to see if I could even get it to build with GCC, and have also had no luck.  

I notice in the new make.inc file:

# If you have nothing better, use the local copy :
# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
# BLAS_LIBS_SWITCH = internal

I'd love to use as many 'internal' items as I can to remove variables for linking failure, but I can't even find blas.a !  It looks like it's not included with QE 6, neither is LAPACK or SCALAPACK.

Have internal options been ripped from the distribution in 6?  I noticed configure didn't understand '--with-internal-lapack' ect.

I'm not sure what I can compile against with GCC if internal options are not available.  Has anyone been able to build QE 6 yet?

-Andrew




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