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Re: [ESPResSo-users] LB command in recent ESPResSo master version

From: Luman Qu
Subject: Re: [ESPResSo-users] LB command in recent ESPResSo master version
Date: Sat, 12 Jul 2014 01:41:16 -0700

Hi Marcello,

Thank you so much for your quick reply. 

I think I found the error - I did not initialize the lb fluid in my test script:

lbfluid cpu agrid 1.0 dens 1.0 visc 1.0 tau [setmd time_step]

What I had previously is just:

lbfluid cpu

What's strange is that without initializing the lbfluid properly, the test script (fluidtest_error.tcl) can run using 3.2.0 version, while the master version reports an error. 

Thanks again for your kind help. 


On Fri, Jul 11, 2014 at 11:30 PM, Marcello Sega <address@hidden> wrote:

a simple testcase with the current master:

setmd box_l 32 32 32
setmd skin 0.0
setmd time_step 0.01
thermostat off
lbfluid cpu agrid 1.0 dens 1.0 visc 1.0 tau [setmd time_step]
constraint rhomboid corner 0.1 0 0 a 10 0 3  b 0 10 0  c 0 0 10
direction 1 type 0
integrate 0

works fine. Please send a minimal script that fails, plus your
myconfig.hpp. That could help understanding where the problem is.

Kind Regards,


On Sat, Jul 12, 2014 at 2:08 AM, Luman Qu <address@hidden> wrote:
> Dear all,
> I have been experiencing problems with the current master version of
> ESPResSo.
> I managed to compile the codes, but when I ran a test script containing LB
> commands (CPU version), I got the following error message:
> background_errors 0 {098 Lattice Boltzmann agrid not set when initializing
> fluid}
>     while executing
> "constraint rhomboid corner $corX $corY $corZ a $aX $aY $aZ b $bX $bY $bZ c
> $cX $cY $cZ direction 1 type
> 10 "
> I was able to run exactly the same script using the stable 3.2.0 release,
> without seeing the above error message. I wonder if there is a way to solve
> the problem?
> Also, does any one know when the next stable version will be released? (It
> looks like that there are many new features are being added.)
> Thank you so much in advance,
> Sincerely,
> Luman Qu

Institut für Computergestützte Biologische Chemie
University of Vienna
PGP public key on MIT server

Attachment: fluidtest_error.tcl
Description: Tcl script

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