[QE-users] SIGSEGV fault in phonon calculation

[时若晨]

Dear all,

I'm a new user to quantum-espresso, and recently i've encontered a problem when calculating phonon frequency in a heterojunction structure containing 24 atoms in an unit cell. A "forrtl: severe (174): SIGSEGV, segmentation fault occurred" error happens, which is frequently asked by users. I suppose this is beacause there's too many atoms in the unit cell, such that RAM need excesses the RAM provided, since I ran a calculation on a similiar structure but whit 12 atoms in the unit cell, and it ran all very well. The self-consistence-field calculation for this structure ran well,too. I've tried some ways, such as set 'verbosity' in the ph.in file to 'minimal', and add 'ulimit -s unlimited' in the .bashrc. However, no one works. 

So I wonder is there a way to overcome this problem?

My input and output file for scf and ph at Gamma point is attached. The text for error is also attatched.




Ruochen Shi
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