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OpenMX consumes memory and dies
Date: 2015/02/13 01:24
Name: Artem Pulkin   <>

Dear Taisuke,

The problem is somewhat similar to this one:

The input file contains ~70 atoms, band structure calculation. OpenMX runs successfully on older AMD cluster (1 node, 48 processes per node, 4 Gb per process) but fails on a new Intel cluster (1 node, 1 process per node, 64 Gb per process). It also fails if all 16 cores are used, 4Gb per core. The makefile adjustments are similar to the example bundled with OpenMX:

vsmp (Intel Xeon SMP cluster, Xeon E5-2690 0 @ 2.90GHz)

When I log into the node I see how memory usage grows continiously with time until signal 11 is raised. Unfortunately the debugging symbols are absent, here is the error:

openmx:203644 terminated with signal 11 at PC=8330f7 SP=7fffec8a9928. Backtrace:

and the last record in stdout:

Num. of grids overlapping with atom 18 = 232081
Num. of grids overlapping with atom 19 = 232080
Num. of grids overlapping with atom 20 = 232157

I may also post here the input file if you want to try to reproduce it.

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Re: OpenMX consumes memory and dies ( No.1 )
Date: 2015/02/20 13:15
Name: T. Ozaki


Could you show us your input file which caused the abort?
Thank you for your cooperation in advance.



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