Re: [petsc-users] Unconstrained optimization question

2024-06-27 Thread Palmer, Bruce J via petsc-users
, 2024 at 3:02 PM To: Palmer, Bruce J , Barry Smith Cc: petsc-users@mcs.anl.gov Subject: Re: [petsc-users] Unconstrained optimization question You can use the PETSC_OPTIONS environment variable to specify options if you don't pass the command line arguments through. You can set -tao_grtol sm

Re: [petsc-users] Unconstrained optimization question

2024-06-26 Thread Jed Brown
t; > > > Bruce > > From: Barry Smith > Date: Wednesday, June 26, 2024 at 2:02 PM > To: Palmer, Bruce J > Cc: petsc-users@mcs.anl.gov > Subject: Re: [petsc-users] Unconstrained optimization question > Check twice before you click! This email originated from outside P

Re: [petsc-users] Unconstrained optimization question

2024-06-26 Thread Palmer, Bruce J via petsc-users
tsc-users] Unconstrained optimization question Check twice before you click! This email originated from outside PNNL. Please run with -tao_monitor -tao_converged_reason and see why it has stopped. Barry On Jun 26, 2024, at 4:34 PM, Palmer, Bruce J via petsc-users wrote: This Message

Re: [petsc-users] Unconstrained optimization question

2024-06-26 Thread Barry Smith
Please run with -tao_monitor -tao_converged_reason and see why it has stopped. Barry > On Jun 26, 2024, at 4:34 PM, Palmer, Bruce J via petsc-users > wrote: > > This Message Is From an External Sender > This message came from outside your organization. > Hi, > > I’m trying to do an unc

[petsc-users] Unconstrained optimization question

2024-06-26 Thread Palmer, Bruce J via petsc-users
Hi, I’m trying to do an unconstrained optimization on a molecular scale problem. Previously, I was looking at an artificial molecular problem where all parameters were of order 1 and so the objective function and variables were also in the range of 1 or at least within a few orders of magnitude