[Pw_forum] [QE-GPU] QE-GPU-5.3.0 compilation issues (UNCLASSIFIED)

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

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