From: Alina Stoian on
Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote in message <1219076111.346913.1276584486604.JavaMail.root(a)gallium.mathforum.org>...
> > Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote
> > in message
> > <9593155.331588.1276528402857.JavaMail.root(a)gallium.ma
> > thforum.org>...
> > > Hi Alina,
> > >
> > > Let's compare our results:
> > >
> > > At which times did you output the concentrations
> > listed
> > > in you last mail, and to which h-values do they
> > > belong ?
> > >
> > > Best wishes
> > > Torsten.
> >
> > Hello,
> > I specified in tspan to output the results at each
> > 3600 s ! So I displayed the values of the liquid
> > concentration at each volume center (I remind you
> > that I devised the liquid volume in 10 , and that the
> > heights are all equal to 3e-4).
> > Best regards,
> > A. Stoian
>
> Hi Alina,
>
> tightening the tolerances for rtol and atol to a very
> small value (1e-11) keeps concentrations positive
> with my solver.
> To be sure about the results, you should make a second
> calculation with a finer grid (maybe 5 times the number
> of points in each compartment).
>
> Best wishes
> Torsten.

Hello,

I tried what you told me and seems that it works, but I gave it to compute until 24*3600 s and not until 48*3600 s ( this is my finish time) because it is taking a lot of time to compute the solution. Therefore I didn't yet had the time to refine my grid! What can I do to make it compute much faster ?

Best regards,
A. Stoian
From: Torsten Hennig on
> Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote
> in message
> <1219076111.346913.1276584486604.JavaMail.root(a)gallium
> .mathforum.org>...
> > > Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de>
> wrote
> > > in message
> > >
> <9593155.331588.1276528402857.JavaMail.root(a)gallium.ma
> > > thforum.org>...
> > > > Hi Alina,
> > > >
> > > > Let's compare our results:
> > > >
> > > > At which times did you output the
> concentrations
> > > listed
> > > > in you last mail, and to which h-values do they
> > > > belong ?
> > > >
> > > > Best wishes
> > > > Torsten.
> > >
> > > Hello,
> > > I specified in tspan to output the results at
> each
> > > 3600 s ! So I displayed the values of the liquid
> > > concentration at each volume center (I remind you
> > > that I devised the liquid volume in 10 , and that
> the
> > > heights are all equal to 3e-4).
> > > Best regards,
> > > A. Stoian
> >
> > Hi Alina,
> >
> > tightening the tolerances for rtol and atol to a
> very
> > small value (1e-11) keeps concentrations positive
> > with my solver.
> > To be sure about the results, you should make a
> second
> > calculation with a finer grid (maybe 5 times the
> number
> > of points in each compartment).
> >
> > Best wishes
> > Torsten.
>
> Hello,
>
> I tried what you told me and seems that it works, but
> I gave it to compute until 24*3600 s and not until
> 48*3600 s ( this is my finish time) because it is
> taking a lot of time to compute the solution.
> Therefore I didn't yet had the time to refine my
> grid! What can I do to make it compute much faster ?
>
>
> Best regards,
> A. Stoian


Hi Alina,

if you compare the results obtained with an error
tolerance of 1e-6 and 1e-11, I think you will see
no big difference. At least for me it would be no
problem to interprete 'negative' concentrations
in an order of magnitude of about -1e-6 as 0.

I think it's much more important to check results
obtained on grids of different size.
In order to make these computations faster, you could
try the following:

Usually the ODE solver has to calculate and
factorize the Jacobian matrix in each time step.
Because your Jacobian matrix is _constant_ over time,
there should be an option within the ODE solver
to supply the Jacobian once and for all times.

By the way:
I solved your system with 10 times the number of grid
points in each compartment, and the simulation took
about 30 seconds.
The program I use is reliable, but it's written in
FORTRAN. If you have a FORTRAN 90 compiler available,
I could send it to you and you could give it a try.

Best wishes
Torsten.
From: Alina Stoian on
Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote in message <503067907.352469.1276672009516.JavaMail.root(a)gallium.mathforum.org>...
> > Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote
> > in message
> > <1219076111.346913.1276584486604.JavaMail.root(a)gallium
> > .mathforum.org>...
> > > > Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de>
> > wrote
> > > > in message
> > > >
> > <9593155.331588.1276528402857.JavaMail.root(a)gallium.ma
> > > > thforum.org>...
> > > > > Hi Alina,
> > > > >
> > > > > Let's compare our results:
> > > > >
> > > > > At which times did you output the
> > concentrations
> > > > listed
> > > > > in you last mail, and to which h-values do they
> > > > > belong ?
> > > > >
> > > > > Best wishes
> > > > > Torsten.
> > > >
> > > > Hello,
> > > > I specified in tspan to output the results at
> > each
> > > > 3600 s ! So I displayed the values of the liquid
> > > > concentration at each volume center (I remind you
> > > > that I devised the liquid volume in 10 , and that
> > the
> > > > heights are all equal to 3e-4).
> > > > Best regards,
> > > > A. Stoian
> > >
> > > Hi Alina,
> > >
> > > tightening the tolerances for rtol and atol to a
> > very
> > > small value (1e-11) keeps concentrations positive
> > > with my solver.
> > > To be sure about the results, you should make a
> > second
> > > calculation with a finer grid (maybe 5 times the
> > number
> > > of points in each compartment).
> > >
> > > Best wishes
> > > Torsten.
> >
> > Hello,
> >
> > I tried what you told me and seems that it works, but
> > I gave it to compute until 24*3600 s and not until
> > 48*3600 s ( this is my finish time) because it is
> > taking a lot of time to compute the solution.
> > Therefore I didn't yet had the time to refine my
> > grid! What can I do to make it compute much faster ?
> >
> >
> > Best regards,
> > A. Stoian
>
>
> Hi Alina,
>
> if you compare the results obtained with an error
> tolerance of 1e-6 and 1e-11, I think you will see
> no big difference. At least for me it would be no
> problem to interprete 'negative' concentrations
> in an order of magnitude of about -1e-6 as 0.
>
> I think it's much more important to check results
> obtained on grids of different size.
> In order to make these computations faster, you could
> try the following:
>
> Usually the ODE solver has to calculate and
> factorize the Jacobian matrix in each time step.
> Because your Jacobian matrix is _constant_ over time,
> there should be an option within the ODE solver
> to supply the Jacobian once and for all times.
>
> By the way:
> I solved your system with 10 times the number of grid
> points in each compartment, and the simulation took
> about 30 seconds.
> The program I use is reliable, but it's written in
> FORTRAN. If you have a FORTRAN 90 compiler available,
> I could send it to you and you could give it a try.
>
> Best wishes
> Torsten.

Hello,

Thank you very much for your time and help....it worked :D ! With a defined constant Jacobian matrix it computes really fast and using a finer mesh it arrives to do it in max 3 minutes! So once more.... THANKS !
Best regards,
Alina Stoian
From: Torsten Hennig on
> Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de> wrote
> in message
> <503067907.352469.1276672009516.JavaMail.root(a)gallium.
> mathforum.org>...
> > > Torsten Hennig <Torsten.Hennig(a)umsicht.fhg.de>
> wrote
> > > in message
> > >
> <1219076111.346913.1276584486604.JavaMail.root(a)gallium
> > > .mathforum.org>...
> > > > > Torsten Hennig
> <Torsten.Hennig(a)umsicht.fhg.de>
> > > wrote
> > > > > in message
> > > > >
> > >
> <9593155.331588.1276528402857.JavaMail.root(a)gallium.ma
> > > > > thforum.org>...
> > > > > > Hi Alina,
> > > > > >
> > > > > > Let's compare our results:
> > > > > >
> > > > > > At which times did you output the
> > > concentrations
> > > > > listed
> > > > > > in you last mail, and to which h-values do
> they
> > > > > > belong ?
> > > > > >
> > > > > > Best wishes
> > > > > > Torsten.
> > > > >
> > > > > Hello,
> > > > > I specified in tspan to output the results
> at
> > > each
> > > > > 3600 s ! So I displayed the values of the
> liquid
> > > > > concentration at each volume center (I remind
> you
> > > > > that I devised the liquid volume in 10 , and
> that
> > > the
> > > > > heights are all equal to 3e-4).
> > > > > Best regards,
> > > > > A. Stoian
> > > >
> > > > Hi Alina,
> > > >
> > > > tightening the tolerances for rtol and atol to
> a
> > > very
> > > > small value (1e-11) keeps concentrations
> positive
> > > > with my solver.
> > > > To be sure about the results, you should make a
> > > second
> > > > calculation with a finer grid (maybe 5 times
> the
> > > number
> > > > of points in each compartment).
> > > >
> > > > Best wishes
> > > > Torsten.
> > >
> > > Hello,
> > >
> > > I tried what you told me and seems that it works,
> but
> > > I gave it to compute until 24*3600 s and not
> until
> > > 48*3600 s ( this is my finish time) because it is
> > > taking a lot of time to compute the solution.
> > > Therefore I didn't yet had the time to refine my
> > > grid! What can I do to make it compute much
> faster ?
> > >
> > >
> > > Best regards,
> > > A. Stoian
> >
> >
> > Hi Alina,
> >
> > if you compare the results obtained with an error
> > tolerance of 1e-6 and 1e-11, I think you will see
> > no big difference. At least for me it would be no
> > problem to interprete 'negative' concentrations
> > in an order of magnitude of about -1e-6 as 0.
> >
> > I think it's much more important to check results
> > obtained on grids of different size.
> > In order to make these computations faster, you
> could
> > try the following:
> >
> > Usually the ODE solver has to calculate and
> > factorize the Jacobian matrix in each time step.
> > Because your Jacobian matrix is _constant_ over
> time,
> > there should be an option within the ODE solver
> > to supply the Jacobian once and for all times.
> >
> > By the way:
> > I solved your system with 10 times the number of
> grid
> > points in each compartment, and the simulation took
>
> > about 30 seconds.
> > The program I use is reliable, but it's written in
> > FORTRAN. If you have a FORTRAN 90 compiler
> available,
> > I could send it to you and you could give it a try.
> >
> > Best wishes
> > Torsten.
>
> Hello,
>
> Thank you very much for your time and help....it
> worked :D ! With a defined constant Jacobian matrix
> it computes really fast and using a finer mesh it
> t arrives to do it in max 3 minutes! So once more....
> THANKS !
> Best regards,
> Alina Stoian

Avec plaisir.

Best wishes
Torsten.