[QE-users] GPU enabled QE not running

[Rahul Verma]

Hi Pietro,

Thank you but, as per this this article

https://docs.nvidia.com/deploy/cuda-compatibility/index.html

NVIDIA driver version 418 is compatible with cuda version 10.1 and 10.2.

Following the output from the command "nvidia-smi"
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 418.67       Driver Version: 418.67       CUDA Version: 10.1 
   |
|-------------------------------+----------------------+----------------------+
| GPU  Name        Persistence-M| Bus-Id        Disp.A | Volatile Uncorr.
ECC |
| Fan  Temp  Perf  Pwr:Usage/Cap|         Memory-Usage | GPU-Util  Compute
M. |
|===============================+======================+======================|
|   0  Tesla V100-PCIE...  Off  | 00000000:5E:00.0 Off |                 
Off |
| N/A   40C    P0    36W / 250W |      0MiB / 16130MiB |      0%     
Default |
+-------------------------------+----------------------+----------------------+

+-----------------------------------------------------------------------------+
| Processes:                                                       GPU
Memory |
|  GPU       PID   Type   Process name                             Usage  
   |
|=============================================================================|
|  No running processes found                                             
   |
+-----------------------------------------------------------------------------+



> Dear Rahul,
>
> that is useful, you can lookup error codes of type 9xxx here:
>
> https://docs.nvidia.com/cuda/cuda-runtime-api/group__CUDART__TYPES.html#group__CUDART__TYPES_1g3f51e3575c2178246db0a94a430e0038
>
> and you'll find
>
> cudaErrorInsufficientDriver = 35
>      This indicates that the installed NVIDIA CUDA driver is older than
> the CUDA runtime library. This is not a supported configuration. Users
> should install an updated NVIDIA display driver to allow the application
> to run.
>
> The driver installed on the machine is apparently too old also for CUDA
> 10.2. Can you switch to older versions of the CUDA runtime? Otherwise
> you'll need to interact with the system's administrator.
>
> Best regards,
> Pietro
>
>
> On 12/31/20 1:26 PM, Rahul Verma wrote:
>> Hi Pietro,
>>    I have tried with configure option --disable-parallel but now, I am
>> getting message passing error..
>>
>>
>> *** error in Message Passing (mp) module ***
>> *** error code:  9035
>>
>> I have also changed the cuda version to 10.2 from 11.1 but the error is
>> same.
>>
>>
>>> Dear Rahul Verma,
>>>
>>> I would try the serial version first. Can you reconfigure and compile
>>> with the additional option
>>>
>>> --disable-parallel
>>>
>>> and check if the misbehavior persists?
>>>
>>> Best regards,
>>> Pietro
>>>
>>>
>>> On 12/31/20 7:50 AM, Rahul Verma wrote:
>>>> I have installed GPU enables QE package in a Volta V100 machine.
>>>> Unfortunately, while running pw.x it is not printing any output.
>>>>
>>>> For reference I am attaching config.log and library dependency output
>>>> with
>>>> this email.
>>>>
>>>> Thank you
>>>>
>>>> Regards
>>>> Rahul Verma
>>>> Department of Chemistry
>>>> IIT Kanpur
>>>>
>>>>
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>>
>>
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-- 
Rahul Verma
Department of Chemistry
IIT Kanpur