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<p>Hi <span class="null">Konrad,</span></p>
<p><span class="null">My experience with QE-GPU is that it works
only with double precision supported GPUs but not single
precision.</span></p>
<p><span class="null">I am using TitanZ and Intel compiler, it works
fast. Here is my ./configure<br>
</span></p>
<p><span class="null">./configure CC=icc F90=ifort F77=ifort
MPIF90=mpiifort --enable-parallel --disable-openmp
--without-scalapack --enable-cuda --with-gpu-arch=sm_35
--with-cuda-dir=/usr/local/cuda-6.5 --with-magma --with-phigemm
--with-pinned-mem LDFLAGS="-L/usr/lib64/ -lstdc++"<br>
</span></p>
I doubt if GTX 1060 supports DP? If it is SP than it does not work
for QE-GPU or it may be very slow.<br>
<br>
Rolly<br>
<br>
<div class="moz-cite-prefix">On 12/29/2016 03:56 PM, Konrad Gruszka
wrote:<br>
</div>
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cite="mid:5e6cb409-d1fb-9383-c00e-7f6adec26492@wip.pcz.pl"
type="cite">
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<p>Deer community,</p>
<p>Recently I'm trying to compile and run QE-GPU version on my new
Cuda capable card. Unfortunately after many attempts the result
is poor. <br>
</p>
<p>I have Nvidia GTX 1060 (with Pascal architecture, 1280 cuda
units). I've managed to compile GPU PWSCF with sm_60 (pascal)
support but when trying to run any calculation I get: <br>
</p>
<span class="null">
<p>Program received signal SIGFPE: Floating-point exception -
erroneous arithmetic operation.Backtrace for this error: #0
0x7F84D59C4E08<br>
<br>
#1 0x7F84D59C3F90<br>
#2 0x7F84D4CB74AF<br>
#3 0x63B2C5 in newd_cuda_<br>
#4 0x639B9F in newq_compute_gpu_ at newq_compute_gpu.f90:122<br>
#5 0x597B1F in __dfunct_MOD_newd at newd.f90:262<br>
#6 0x4E2B87 in init_run_ at init_run.f90:101<br>
#7 0x4081DB in run_pwscf_ at run_pwscf.f90:78<br>
#8 0x408049 in pwscf at pwscf.f90:30 #9 0x7F84D4CA282F</p>
<p>The configure options were: <br>
</p>
<p>./configure --enable-parallel --enable-cuda --enable-openmp
--with-cuda-dir=/usr/local/cuda-8.0/ --with-internal-blas
--with-internal-lapack --without-magma --with-phigemm
FFT_LIBS=/mnt/fast/fftw-3.3.4/.libs/libfftw3.a
--with-gpu-arch=pascal<br>
</p>
<p>For now I'm trapped here, not knowing what to do. Is it
possible to run QE-GPU not only on specialized computing
devices like e.g. K20 at all? How to manage this? <br>
</p>
<p>Konrad Gruszka<br>
</p>
</span>
<div class="_38 direction_ltr"><span class="null"></span></div>
<br>
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<br>
<pre class="moz-signature" cols="72">--
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538</pre>
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