[Pw_forum] QE-GPU problems.

[Konrad Gruszka]

Hello Oliver,

Many thanks for quick response. According to Your post it seems that You 
know well what to change and where to do those changes. Could You please 
provide more informations? Maybe something more specific?

Konrad

W dniu 30.12.2016 o 04:48, Oliver Generalao pisze:
> Hi Konrad,
>
> Nvidia GTX 1060 is sm_61 and per https://github.com/fspiga/QE-GPU, it
> supports up to sm_60, based on  my experience QE-GPU will compile with
> sm_61 however when you run pw-gpu.x it will throw errors, hence there
> should be a slight modification on the QE-GPU source code to include
> sm_61, it should be easy to do that.
> I am using Nvidia GTX 1070 and have been working on it with QE-GPU for
> 2 months now. The only catch, which Mr Spiga always points out, is
> that the DP performance on GTX cards  is very slow , which is like
> 1/32 (or 1/24) of the Single Precision
>
>
>
> On 12/29/16, Konrad Gruszka <kgruszka at wip.pcz.pl> wrote:
>> Deer community,
>>
>> 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.
>>
>> 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:
>>
>> Program received signal SIGFPE: Floating-point exception - erroneous
>> arithmetic operation.Backtrace for this error: #0 0x7F84D59C4E08
>>
>> #1 0x7F84D59C3F90
>> #2 0x7F84D4CB74AF
>> #3 0x63B2C5 in newd_cuda_
>> #4 0x639B9F in newq_compute_gpu_ at newq_compute_gpu.f90:122
>> #5 0x597B1F in __dfunct_MOD_newd at newd.f90:262
>> #6 0x4E2B87 in init_run_ at init_run.f90:101
>> #7 0x4081DB in run_pwscf_ at run_pwscf.f90:78
>> #8 0x408049 in pwscf at pwscf.f90:30 #9 0x7F84D4CA282F
>>
>> The configure options were:
>>
>> ./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
>>
>> 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?
>>
>> Konrad Gruszka
>>
>>
>

-- 
dr inż. Konrad Gruszka
Politechnika Częstochowska
Instytut Fizyki