CP2K CUDA ERROR: OUT OF MEMORY

[Alfio Lazzaro]

Dear Aman Jindal,
GPUs have a limited amount of memory with respect to global CPU memory, 
therefore my guessing is that you have to use more nodes to run your job...

Alfio

Il giorno venerdì 22 luglio 2016 17:37:22 UTC+2, Aman Jindal ha scritto:
>
> Hello everyone,
> I compiled CP2K-3.0 on CRAY-XC40 for cuda using arch file: 
> CRAY-XC30-gfortran-cuda.psmp. I ran test input file for water and it was 
> successfully over. But when I am running jobs for my actual system, I am 
> getting the following error:
>
> CUDA Error: out of memory
>
>
>  *******************************************************************************
>  *   
> ___                                                                       *
>  *  /   
> \                                                                      *
>  * 
> [ABORT]                                                                     
> *
>  *  \___/      acc_hostmem_alloc_raw: Could not allocate host pinned 
> memory    *
>  *    
> |                                                                        *
>  *  
> O/|                                                                        *
>  * /| 
> |                                                                        *
>  * / \                                                   
> acc/acc_hostmem.F:122 *
>
>  *******************************************************************************
>
>
>  ===== Routine Calling Stack =====
>
>            18 internal_data_allocate
>            17 dbcsr_data_new
>            16 make_images
>  
> I tried using CUDA SUBSECTION (for memory keyword) also in GLOBAL section, 
> but it didn't work. Attached is the output file.
> Can anyone please help, what might be wrong? I would also like to know how 
> can I make sure that my job is using GPU card.
>
> Thank you,
>
> Aman Jindal
>
>
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