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

From: Axel Arnold
Subject: Re: [ESPResSo-users] LB command in recent ESPResSo master version
Date: Sat, 12 Jul 2014 12:30:55 +0200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:24.0) Gecko/20100101 Thunderbird/24.6.0

That is not really a wonder. Unfortunately, in older versions, lb was less strict, but that could lead to inconsistent behavior. The current master's behavior should be more robust. So, please adapt all your scripts, even if you still use the older version.


On 07/12/2014 10:41 AM, Luman Qu wrote:
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

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

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