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OpenMX consumes memory and dies Date: 2015/02/13 01:24 Name: Artem Pulkin   <artem.pulkin@epfl.ch> Dear Taisuke, The problem is somewhat similar to this one: http://www.openmx-square.org/forum/patio.cgi?mode=view&no=1279 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. Artem

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Re: OpenMX consumes memory and dies ( No.1 ) Date: 2015/02/20 13:15 Name: T. Ozaki Hi, Could you show us your input file which caused the abort? Thank you for your cooperation in advance. Regards, TO

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