[CP2K-user] [CP2K:17898] 2022.2 works for a gcc build, but errors out with an Intel build

[jerryt...@gmail.com]

Thank you Matthias.  

I needed to set OMP_STACKSIZE=2G for the job to run.

Jerry

On Tuesday, October 18, 2022 at 7:52:49 AM UTC-4 Matthias Krack wrote:

> Hi Jerry
>
>  
>
> Try to set 
>
> export OMP_STACKSIZE=16M
>
> export I_MPI_DEBUG=5
>
> before you run the test with the Intel binary.
>
>  
>
> Best
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> jerryt... at gmail.com <jerryt... at gmail.com>
> *Date: *Tuesday, 18 October 2022 at 13:21
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:17893] 2022.2 works for a gcc build, but errors out with 
> an Intel build
>
> Dear Forum,
>
> First, thank you for you patience as I try to stand up an optimized build 
> of 2022.2 with Intel compilers and MKL.  I have build the latest code 
> successfully.  I now want to compare the performance between my currently 
> running gcc/mkl build and an all-intel build.  Using the same input file 
> and structure file, the gcc job ran to completion, and was very efficient.  
> However, my intel build gave the attached error message.  I have also 
> attached the input and files.
>
>  
>
> The intel build used Intel 2021.3.
>
>  
>
> Thank you for your help.
>
>  
>
> Best regards,
> Jerry
>
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