Binary nature of gsoutput

[Gaurav Joshi]

Dear Admin,

I recently submitted a job utilizing CALYPSO with GAUSSIAN-16. I kept the POPSIZE of the job as 120, and MAXSTEPS as 10. However, in the first step, after calculating 81 structures, the GAUSSIAN calculation got stuck in the optimization of geometry, which led to a very large size of gsoutput (As I have given opt=(maxcycle=200)).  After running for 200 steps, the GAUSSIAN job got the error termination and also killed the CALYPSO.

Somehow, the file gsoutput has transformed into binary format, though I can still open it and view it in Chemcraft but using any command, like grep, prompts that it is in binary format. Based on the error file, the problem lies in the binary format of gsoutput. Please see the EOF of the error file attached.

How can I restart this calculation, as it stopped before completing the first step?

What is the reason for this transformation to binary format?

Please help me in resolving this issue.

Regards,

Gaurav Joshi