[CP2K:9379] Re: building cp2k 4.1 on a cray with cuda: DBCSR issues

[Ada Sedova]

So, I seem to have built successfully today using gcc 4.9.3: I had 
forgotten the -lrt library link. 4.8.2 did not work as there were problems 
linking with correct cray-libsci library for 'interlagos' target.

Now I am trying to test using multiple nodes and I am getting strange 
behavior: 3 aprun processes always launch, no matter the number of 
nodes/processes I ask for, and one process always stops right away, with a 
"[1]+ Stopped" message. The job seems to continue, however, with files 
being written. This seems very strange and incorrect.



On Tuesday, September 12, 2017 at 12:13:16 PM UTC-4, Ada Sedova wrote:
>
> Hi Andreas,
>
> I was wondering if you found out anything about the type mismatch error in 
> DBCSR. I tried using gcc 5.3 but I get an error right away informing me 
> that gcc versions greater than 4.9 are not supported. So that can't be the 
> problem. 
>
> I may try to look in the code, but I don't know how much I can find.
>
> Thanks again,
>
> Ada
>
> On Fri, Sep 8, 2017 at 11:02 AM, Andreas Glöss <andreas... at gmail.com> 
> wrote:
>
>> Dear Ada
>>
>> For the Type-mismatch I need to do some further investigations, but for 
>> the other question (out-of-range with cusmm) you can safely ignore this 
>> message (it's a false-positive warning while preprocessing CUDA files - we 
>> have tested this). 
>> However, you can switch off the warning by adding '-w' to the nvcc, 
>> and/or, if you don't need CUDA at all, you should remove NVCC, NVFLAGS and 
>> CUDA-related LIBS from your ARCH-file.
>>
>> Andreas
>>
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