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

[Ianni, James C CTR USARMY RDECOM ARL (US)]

CLASSIFICATION: UNCLASSIFIED

Dear Filippo,

> 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.

> What happen if you disable MAGMA? Does it compile?

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

-James

______________________________ 
Dr. James C. Ianni
Applications Engineer
Lockheed-Martin / Contractor
ARL DoD Supercomputing Resource Center 
Aberdeen Proving Ground, MD 21005
Email:  james.c.ianni.ctr at mail.mil


______________________________
Dr. James C. Ianni
Applications Engineer
Lockheed-Martin / Contractor
ARL DoD Supercomputing Resource Center 
Aberdeen Proving Ground, MD 21005
☎Phone:  410-278-7447 
Fax  :    410-278-8799
Email:  james.c.ianni.ctr at mail.mil

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Filippo SPIGA
Sent: Wednesday, February 17, 2016 2:43 PM
To: PWSCF Forum <pw_forum at pwscf.org>
Subject: [Non-DoD Source] Re: [Pw_forum] [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)

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----

Dear James,

did you make sure to clean everything before move from CUDA 5.5 to CUDA 6.5?

Meaning:

$ make -f Makefile.gpu distclean

and re-run the configure from GPU/ folder. What happen if you disable MAGMA? Does it compile?

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

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On Feb 17, 2016, at 7:11 PM, Ianni, James C CTR USARMY RDECOM ARL (US) <james.c.ianni.ctr at mail.mil> wrote:
> CLASSIFICATION: UNCLASSIFIED
> 
> 
> Hi,
> 
>   I'm trying to compile QE-GPU-5.3.0 on a 64-bit SUSE Linux Sever 11.3 Dell node. I'm compiling with gcc/4.8.1 with cudatoolkit/6.5.14-1.0502.9613.6.1. I have successfully compiled QE-GPU-5.3.0 with cudatoolkit/5.5.22-1.0502.7944.3.1 before, but that version does not run with the newer cudatoolkit installed.
> The compilation problems appears to be missing BLAS libraries (see output from below) that MAGMA is trying to call. Could it be that the cudatoolkit wasn't fully installed?
> ===
> 
> Here is my configure:
> 
> export ARCH x86_64
> export F77="gfortran -fPIC"
> export FC="gfortran -fPIC"
> export CC="gcc -fPIC"
> 
> ./configure  --disable-parallel --enable-openmp  \  --enable-cuda 
> --with-gpu-arch=sm_35 \
>  --with-cuda-dir=/opt/cray/nvidia/default/lib64  \  --with-magma 
> --with-phigemm 
> --prefix=/usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0
> 
> ========
> <..SNIP..>
> ..
> gfortran -fPIC -g -fopenmp -o pw-gpu.x \
>         pwscf.o  ../../PW/src/libpw.a libpwgpu.a ../../Modules/libqemod.a ../../FFTXlib/libqefft.a ../Modules/libqemodgpu.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a  /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//qe-magma/lib/libmagma.a  /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//lapack-3.2/lapack.a  /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//phiGEMM/lib/libphigemm.a  /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//BLAS/blas.a   -L/opt/nvidia/cudatoolkit6.5/6.5.14-1.0502.9613.6.1/lib64 -lcublas  -lcufft -lcudart
> /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//qe-magma/lib/libmagma.a(zgeqp3.o): In function `magma_zgeqp3':
> zgeqp3.cpp:(.text+0x33f): undefined reference to `cblas_dznrm2'
> /usr/cta/unsupported/qe/5.3.0.gpu/espresso-5.3.0/GPU/..//qe-magma/lib/libmagma.a(zlaqps.o): In function `magma_zlaqps':
> zlaqps.cpp:(.text+0x207): undefined reference to `cblas_idamax'
> zlaqps.cpp:(.text+0x97c): undefined reference to `cblas_dznrm2'
> zlaqps.cpp:(.text+0xa15): undefined reference to `cblas_dznrm2'
> ..
> <..SNIP..>
> ______________________________
> Dr. James C. Ianni
> Applications Engineer
> Lockheed-Martin / Contractor
> ARL DoD Supercomputing Resource Center Aberdeen Proving Ground, MD 
> 21005
> Email:  james.c.ianni.ctr at mail.mil
> 
> 
> 
> CLASSIFICATION: UNCLASSIFIED
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
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