Author Topic: error when calculate twoprobe system  (Read 4650 times)

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Offline jerry

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error when calculate twoprobe system
« on: August 8, 2011, 14:07 »
Dear,
    When I tried to calculate the transmission and DOS for a two probe system, an error occured. The following is the clue: terminate called after throwing an instance of 'std::bad_alloc'. The OS is linux 32bit.
Can you give me some suggestion? Thanks a lot!
    Jerry

Offline kstokbro

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Re: error when calculate twoprobe system
« Reply #1 on: August 8, 2011, 15:16 »
The error message means "out of memory". Make sure you only assing 1 MPI process per physical machine when running in parallel. If you do, and still get the error, then you may have to adjust the parameters, perhaps lower the number of k-points in the z-director or otherwise reduce the memory requirement of the calculation.

Note that if you have dielectric and metallic regions, the poisson solver will be the multigrid solver which in 11.2 is very heavy in memory consumption. In the up comming release 11.8 there will be a new multigrid solver which uses less memory.

Offline jerry

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Re: error when calculate twoprobe system
« Reply #2 on: August 9, 2011, 03:06 »
Thank you very much!