Question: BAD TERMINATION occurs while semi-stochastic initialisation

[Zihan Lin]

Following photos show my input file and output file. I wonder why this error happens.

PS Intel MPI is used, and there is nothing in the standard error output.

[Alex Thom]

Dear Zihan,
If you can send me a copy of the Li8.FCIDUMP file as well I can try some debugging.  Does it work without MPI?
Alex

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[william.zeller...@gmail.com]

Zihan,

My guess would be that the calculation ran out of memory.
You can try lowering the state_size to -1100, as well check the resource usage of the calculation and compare with the available resources of the computer.

Will

[Zihan Lin]

Thanks a lot for your advice. I'm testing whether inappropriate memory caused the error. By the way, the job using the same memory without semi-stochastic(i.e. i-FCIQMC) ran successfully, so I wonder if there's any notes for setting semi-stochastic.

Zihan Lin