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Re: [ESPResSo-users] problems on runing parallel Espresso

From: Axel Arnold
Subject: Re: [ESPResSo-users] problems on runing parallel Espresso
Date: Thu, 6 Jan 2011 18:19:57 +0100
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On Thursday 06 January 2011, Yanping Fan, Liza (Dr) wrote:
> Hi, Alex. Thanks for reply.
> I switch skin to 3 or 2, adjust my LJ settings and change P3M accuracy from
> -06 to -05, it showed other problems
> Either stopped outputting new data or showing this error msg
> 0: Script directory: /home/korolev/espresso-2.1.2j_p/scripts
> [compute82:27839] *** Process received signal ***
> [compute82:27839] Signal: Segmentation fault (11)
> [compute82:27839] Signal code: Address not mapped (1)
> [compute82:27839] Failing at address: 0x2aaaef555a78
> [compute82:27839] [ 0] /lib64/ [0x39f640e4c0]
> [compute82:27839] [ 1]
> /home/korolev/espresso-2.1.2j_p/obj-Xeon_64-pc-linux/Espresso_bin(P3M_char
> ge_assign+0x247c) [0x47d6ec] [compute82:27839] [ 2]
> --------------------------------------------------------------------------
> mpirun noticed that process rank 1 with PID 27839 on node compute82 exited
> on signal 11 (Segmentation fault).

That is the same error as before, which basically doesn't tell anything.  As I 
said before, the program crashes in the charge assignment, presumably because 
the memory for the grid was not assigned. You will need to reduce your 
accuracy until it doesn't crash. There is no way to tell how you have to set 
your parameters till it works, except for trying.

> Also I don't understand how come different version have different responses
> to the same script. Thanks.

If all versions would react exactly the same to each script, then probably 
that would mean that we don't fix any bugs. Apart from that, a I said before, 
such memory bugs depend on the order of commands in the C-code and in fact 
even on the compilation run, due to heuristic optimization of e.g. gcc. If you 
want to know more about that, read some basic literature on compilers etc.

Many regards,

JP Dr. Axel Arnold      Tel: +49 711 685 67609
ICP, Universit├Ąt Stuttgart      Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany

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