2022.2 works for a gcc build, but errors out with an Intel build

[jerryt...@gmail.com]

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

[Krack Matthias (PSI)]

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

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[jerryt...@gmail.com]

Thank you Matthias. 

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

Jerry