Re: [Pw_forum] QE-GPU with Nvidia K80 failed

2016-01-09 Thread Filippo Spiga 
I identified where the problem comes from, I can apply a patch to the next 
QE-GPU release that will be out this weekend.

I will send you a separate file for QE 14.10.

--
Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga

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> On Jan 9, 2016, at 4:17 PM, Rolly Ng  wrote:
> 
> Hello Filippo,
> 
> Just like to confirm which version of driver should I installed for K80 
> with CUDA 6.5?
> 
> With C2050, I have 340.65 and it works.
> 
> Not sure about K80? Thank you!
> 
> Regards,
> Rolly
> 
> On 01/09/2016 06:00 PM, Filippo Spiga wrote:
>> Hello Rolly,
>> 
>> Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is 
>> supported for K80. I do not recall I added explicit support for 3.7 in 
>> QE-GPU. From an optimization perspective, I can guarantee there is nothing 
>> in the code that leverage K80 better than any other NVIDIA GPU Kepler 
>> architecture.
>> 
>> Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. 
>> Updates will arrive with the next release as well since now the two are 
>> aligned. tar.gz and announcement will made during the weekend.
>> 
>> Cheers
>> 
>> --
>> Mr. Filippo SPIGA, M.Sc.
>> Quantum ESPRESSO Foundation
>> http://www.quantum-espresso.org ~ skype: filippo.spiga
>> 
>> 
>>> On Jan 9, 2016, at 9:28 AM, Rolly Ng  wrote:
>>> 
>>> Dear QE-GPU developers,
>>> 
>>> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80,
>>> total of 8 GPU cores.
>>> 
>>> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes
>>> with sm_37.
>>> 
>>> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0
>>> complied okay. However, when I run the pw-gpu.x, it failed with
>>> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ...
>>> (rank 7)
>>> 
>>> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?
>>> 
>>> Thank you,
>>> Rolly
>>> 
>>> -- 
>>> PhD. Research Fellow,
>>> Dept. of Physics & Materials Science,
>>> City University of Hong Kong
>>> Tel: +852 3442 4000
>>> Fax: +852 3442 0538
>>> 
>>> ___
>>> Pw_forum mailing list
>>> Pw_forum@pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>> 
>> ___
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> 
> -- 
> PhD. Research Fellow,
> Dept. of Physics & Materials Science,
> City University of Hong Kong
> Tel: +852 3442 4000
> Fax: +852 3442 0538
> 
> ___
> Pw_forum mailing list
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Re: [Pw_forum] QE-GPU with Nvidia K80 failed

2016-01-09 Thread Rolly Ng 
Hello Filippo,

Just like to confirm which version of driver should I installed for K80 
with CUDA 6.5?

With C2050, I have 340.65 and it works.

Not sure about K80? Thank you!

Regards,
Rolly

On 01/09/2016 06:00 PM, Filippo Spiga wrote:
> Hello Rolly,
>
> Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is 
> supported for K80. I do not recall I added explicit support for 3.7 in 
> QE-GPU. From an optimization perspective, I can guarantee there is nothing in 
> the code that leverage K80 better than any other NVIDIA GPU Kepler 
> architecture.
>
> Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. 
> Updates will arrive with the next release as well since now the two are 
> aligned. tar.gz and announcement will made during the weekend.
>
> Cheers
>
> --
> Mr. Filippo SPIGA, M.Sc.
> Quantum ESPRESSO Foundation
> http://www.quantum-espresso.org ~ skype: filippo.spiga
>
>
>> On Jan 9, 2016, at 9:28 AM, Rolly Ng  wrote:
>>
>> Dear QE-GPU developers,
>>
>> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80,
>> total of 8 GPU cores.
>>
>> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes
>> with sm_37.
>>
>> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0
>> complied okay. However, when I run the pw-gpu.x, it failed with
>> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ...
>> (rank 7)
>>
>> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?
>>
>> Thank you,
>> Rolly
>>
>> -- 
>> PhD. Research Fellow,
>> Dept. of Physics & Materials Science,
>> City University of Hong Kong
>> Tel: +852 3442 4000
>> Fax: +852 3442 0538
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum@pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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Re: [Pw_forum] QE-GPU with Nvidia K80 failed

2016-01-09 Thread Rolly Ng 
Hello Filippo,

Thank you!

That was what I did, I configure it with

./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 \
LDFLAGS="-L/usr/lib64/ -lstdc++"

But, as I run,
mpirun -genvall -np 8 ./pw-gpu.x -inp 
/home/rolly/AuSurf111_fix/AuSurf111_fix+Biotin.in |tee 
/home/rolly/AuSurf111_fix/AuSurf111_fix+Biotin.out

It stops immediately.

*** ERROR *** something went wrong inside query_gpu_specs! (rank 0)*** 
ERROR *** something went wrong inside query_gpu_specs! (rank 2)*** ERROR 
*** something went wrong inside query_gpu_specs! (rank 1)*** ERROR *** 
something went wrong inside query_gpu_specs! (rank 3)*** ERROR *** 
something went wrong inside query_gpu_specs! (rank 4)*** ERROR *** 
something went wrong inside query_gpu_specs! (rank 7)*** ERROR *** 
something went wrong inside query_gpu_specs! (rank 5)*** ERROR *** 
something went wrong inside query_gpu_specs! (rank 
6)linux-iltf:/opt/QE520-GP
U/bin #

I have to do control-c to quit.

Any idea? Thank you!

Rolly

On 01/09/2016 06:00 PM, Filippo Spiga wrote:
> Hello Rolly,
>
> Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is 
> supported for K80. I do not recall I added explicit support for 3.7 in 
> QE-GPU. From an optimization perspective, I can guarantee there is nothing in 
> the code that leverage K80 better than any other NVIDIA GPU Kepler 
> architecture.
>
> Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. 
> Updates will arrive with the next release as well since now the two are 
> aligned. tar.gz and announcement will made during the weekend.
>
> Cheers
>
> --
> Mr. Filippo SPIGA, M.Sc.
> Quantum ESPRESSO Foundation
> http://www.quantum-espresso.org ~ skype: filippo.spiga
>
>
>> On Jan 9, 2016, at 9:28 AM, Rolly Ng  wrote:
>>
>> Dear QE-GPU developers,
>>
>> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80,
>> total of 8 GPU cores.
>>
>> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes
>> with sm_37.
>>
>> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0
>> complied okay. However, when I run the pw-gpu.x, it failed with
>> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ...
>> (rank 7)
>>
>> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?
>>
>> Thank you,
>> Rolly
>>
>> -- 
>> PhD. Research Fellow,
>> Dept. of Physics & Materials Science,
>> City University of Hong Kong
>> Tel: +852 3442 4000
>> Fax: +852 3442 0538
>>
>> ___
>> Pw_forum mailing list
>> Pw_forum@pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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Re: [Pw_forum] QE-GPU with Nvidia K80 failed

2016-01-09 Thread Filippo Spiga 
Hello Rolly,

Please try to use "--with-gpu-arch=sm_35", compute capability 3.5 is supported 
for K80. I do not recall I added explicit support for 3.7 in QE-GPU. From an 
optimization perspective, I can guarantee there is nothing in the code that 
leverage K80 better than any other NVIDIA GPU Kepler architecture.

Best suggestion is to move to QE 5.3.0 and get the QE-GPU bundled with it. 
Updates will arrive with the next release as well since now the two are 
aligned. tar.gz and announcement will made during the weekend.

Cheers

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


> On Jan 9, 2016, at 9:28 AM, Rolly Ng  wrote:
> 
> Dear QE-GPU developers,
> 
> I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80, 
> total of 8 GPU cores.
> 
> I was successful using QE-GPU on C2050 with sm_20, but the K80 comes 
> with sm_37.
> 
> I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0 
> complied okay. However, when I run the pw-gpu.x, it failed with
> *** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ... 
> (rank 7)
> 
> Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?
> 
> Thank you,
> Rolly
> 
> -- 
> PhD. Research Fellow,
> Dept. of Physics & Materials Science,
> City University of Hong Kong
> Tel: +852 3442 4000
> Fax: +852 3442 0538
> 
> ___
> Pw_forum mailing list
> Pw_forum@pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum


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[Pw_forum] QE-GPU with Nvidia K80 failed

2016-01-09 Thread Rolly Ng 
Dear QE-GPU developers,

I am testing the latest NV K80 for QE-GPU, and the test bed has 4x K80, 
total of 8 GPU cores.

I was successful using QE-GPU on C2050 with sm_20, but the K80 comes 
with sm_37.

I have cuda-6.5 installed and I am using QEv5.2.0 + QE-GPUv14.10.0 
complied okay. However, when I run the pw-gpu.x, it failed with
*** ERROR *** something went wrong inside query_gpu_specs! (rank 0) ... 
(rank 7)

Should I upgrade to cuda 7.0 or 7.5 and QEv5.3.0 + QE-GPUv5.3?

Thank you,
Rolly

-- 
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538

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