[QE-users] [SUSPECT ATTACHMENT REMOVED] QE-GPU version 6.5: cegterg cannot allocate vc_d

[Pietro Bonfa]

Dear Simone,

which version of the code are you using? A memory leak in forces has 
been fixed in v6.5a2.

Let me also mention that, as you probably know, the estimate provided 
for RAM approximates well also the amount of global memory required on 
the GPU, which however is smaller than the RAM, in general.
Finally, keep in mind that the code reports a lower estimate.

Hope this helps,
best,
Pietro

On 5/27/20 2:01 PM, Simone Del Puppo wrote:
> Hi everybody,
> I have a problem with version 6.5 of quantum espresso with gpu.
> I run the relax simulation ( input file attached) but after some bfgs 
> steps it stops with the following error message:
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%
>       task #         1
>       from  cegterg  : error #         1
>        cannot allocate vc_d
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%
> It seems to be a memory problem but the RAM estimate in output file:
>       Estimated max dynamical RAM per process >       8.60 GB
>       Estimated total dynamical RAM >      34.38 GB
> 
> Is much less then the allocated ones!
> Can someone kindly help me, please?? Input file is attached.
> Thank you in advance.
> 
> Best,
> Simone
> 
> 
> Simone Del Puppo
> PhD
> Department of physics,
> University of Trieste
> 
> 
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