[Pw_forum] [Non-DoD Source] Re: [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)

[Filippo SPIGA]

On Feb 17, 2016, at 8:15 PM, Ianni, James C CTR USARMY RDECOM ARL (US) <james.c.ianni.ctr at mail.mil> wrote:
>> did you make sure to clean everything before move from CUDA 5.5 to CUDA 6.5?
>> $ make -f Makefile.gpu distclean
> 
> Didn't work. Same exact error.

I notice you are using "/usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//BLAS/blas.a", it seems QE cannot properly detect a BLAS library. Please install Intel MKL or OpenBLAS or BLAS itself (blas and blas-devel) via yum.


> Now that compiled. Can I use this version? How much of a performance hit do I get running without MAGMA?

You are running in serial. Most likely you will lose around 10%~15%, it really depends by your input. Check cdiaghg or rdiaghg timing.

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga

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