[lammps-users] Problem using "fix heat"

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1

Hi,

I'm having a problem using the "fix heat" command. In the attached input file, after running 1000
steps in the NPT ensemble, I'm trying to run an NPH simulation while extracting heat using the
fix heat command.

The commands used to set up these conditions are

fix 1 all nph iso 0.0 0.0 1.0
fix 2 all heat 1 -0.0025

The NPH part seems OK, since it runs without problems if I don't use the fix heat command.

But when I enable the above fix heat command, lammps crashes showing the message:

in.Ga_liquidsamNPH (1.6 KB)

2

Hi,

hi maurice,

i never used fix heat, but i've used altix machines before.
i assume you have an ia64 (=itanium) based altix. in that
case, i suggest to compile a binary without optimization
or using a different compiler or both and see if the error
persists. compilers on ia64 have to work much harder to
optimize code and thus have a higher chance to miscompile
code that works correctly elsewhere.

cheers,
   axel.