Hi Mathew, we have code that time splits the combustion step from the chemical 
species transport, so on each computational cell for each fluid flow time step, 
once transport is done we have the mixture chemical composition as initial 
condition. We are looking into doing finite rate chemistry with skeletal 
combustion models (20+ equations) in each cell for each fluid time step. 
Sundials provides the CVODE solver for the time integration of these, and would 
be interesting to see if we can make use of GPU acceleration. From their User 
Guide for Version 6.6.0 there are several GPU implementations for building RHS 
and using linear, nonlinear and stiff ODE solvers.

Thank you Satish for the comment. Might be better at this point to first get an 
idea on what the implementation in our code using Sundials directly would look 
like. Then, we can see if it is possible and makes sense to access it through 
PETSc.
We have things working in CPU making use of and older version of CVODE.

BTW after some changes in our code we are starting running larger cases using 
GPU accelerated iterative solvers from PETSc, so we have PETSc interfaced 
already.

Thanks!

________________________________
From: Matthew Knepley <knep...@gmail.com>
Sent: Monday, October 16, 2023 3:03 PM
To: Vanella, Marcos (Fed) <marcos.vane...@nist.gov>
Cc: petsc-users@mcs.anl.gov <petsc-users@mcs.anl.gov>; Paul, Chandan 
(IntlAssoc) <chandan.p...@nist.gov>
Subject: Re: [petsc-users] Using Sundials from PETSc

On Mon, Oct 16, 2023 at 2:29 PM Vanella, Marcos (Fed) via petsc-users 
<petsc-users@mcs.anl.gov<mailto:petsc-users@mcs.anl.gov>> wrote:
Hi, we were wondering if it would be possible to call the latest version of 
Sundials from PETSc?

The short answer is, no. We are at v2.5 and they are at v6.5. There were no 
dates on the version history page, so I do not know how out of date we are. 
There have not been any requests for update until now.

We would be happy to get an MR for the updates if you want to try it.

We are interested in doing chemistry using GPUs and already have interfaces to 
PETSc from our code.

How does the GPU interest interact with the SUNDIALS version?

  Thanks,

     Matt

Thanks,
Marcos


--
What most experimenters take for granted before they begin their experiments is 
infinitely more interesting than any results to which their experiments lead.
-- Norbert Wiener

https://www.cse.buffalo.edu/~knepley/<http://www.cse.buffalo.edu/~knepley/>

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