[CP2K-user] [CP2K:17893] 2022.2 works for a gcc build, but errors out with an Intel build

jerryt...@gmail.com jerrytanoury at gmail.com
Tue Oct 18 11:20:36 UTC 2022


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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