Dear OpenMX users: I used scalapack-version OpenMX optimizing a interfacial structure of 400 atoms with three different threads.(This is the partial script of three different threads: mpirun -np 14 $EXEC $file -nt 2 ; mpirun -np 7 $EXEC $file -nt 4; mpirun -np 28 $EXEC $file ) There are same errors as the following output file. Num. of grids overlapping with atom 1 = 238677 Num. of grids overlapping with atom 2 = 238683 Num. of grids overlapping with atom 3 = 238669 Num. of grids overlapping with atom 4 = 238665 Num. of grids overlapping with atom 5 = 238697 Num. of grids overlapping with atom 6 = 238668 Num. of grids overlapping with atom 7 = 238676 Num. of grids overlapping with atom 8 = 238675 Num. of grids overlapping with atom 9 = 238694 .......... ......
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)
I would like to consult what caused such a mistake, and how should I solve it. Thank you very much! xmzhang
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Re: How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)( No.1 )
Date: 2018/06/12 10:32
Name: T. Ozaki
Dear xmzhang,
The signal 9 may indicate that the job is out of memory. You may be able to check when the problem happens by reducing scf.energycutoff and quality of basis functions. Also, you may be able to reduce the number of MPI processes per node so that OpenMX can access more memory.
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How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)
Re: How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)