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[ESPResSo-users] can not run dpd thermostat and tabulated interaction

From: guozhicheng222
Subject: [ESPResSo-users] can not run dpd thermostat and tabulated interaction
Date: Tue, 19 Nov 2013 21:24:56 +0800 (CST)

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_cells too 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

Attachment: run.tcl
Description: Tcl script

Attachment: tab.dat
Description: Binary data

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