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Re: [ESPResSo-users] can not run dpd thermostat and tabulated interactio

From: Axel Arnold
Subject: Re: [ESPResSo-users] can not run dpd thermostat and tabulated interaction
Date: Tue, 19 Nov 2013 15:02:15 +0100
User-agent: Mozilla/5.0 (Macintosh; Intel Mac OS X 10.9; rv:24.0) Gecko/20100101 Thunderbird/24.1.0

The error message might give you a hint: as it says, your box size is too small. Just make it big enough (at least 2x your cutoff).


On 19.11.13 14:23, guozhicheng222 wrote:
I get the following error message using dpd thermostat and tabulated interaction. I attached the tcl script and tabulated file.
Error in startup script: background_errors 0 {013 box_l in direction 0 is too small} {013 box_l in direction 1 is too small} {013 box_l in direction 2 is too small} {002 interaction range 1.4 in direction 0 is larger than the local box size 1} {002 interaction range 1.4 in direction 1 is larger than the local box size 1} {002 interaction range 1.4 in direction 2 is larger than the local box size 1} {001 number of cells 1 is smaller than minimum 8 (interaction range too large or min_num_cel ls t oo large)} {013 box_l in direction 0 is too small} {013 box_l in direction 1 is too small} {013 box_l in direction 2 is too small} {002 interaction range 1.4 in direction 0 is larger than the local box size 1} {002 interaction range 1.4 in direction 1 is larger than the local box size 1} {002 interaction range 1.4 in direction 2 is larger than the local box size 1} {001 number of cells 1 is smaller than minimum 8 (interaction range too large or min_num_cells too large)} 

    while executing

"thermostat dpd $temp $gamma $r_cut"

    (file "run.tcl" line 22)


What's wrong with this? How can I fix it? Thanks in advance for any useful information.

Best wishes!

Zhicheng Guo

JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609

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