unstable result when running stable input code on a different machine

Submitted by jtvanlew on Wed, 03/13/2013 - 01:19

I've been trying to debug some nuclear heating and thermal expansion adaptions that I've been having with my input script. To help with the debugging I just took the input script from heatTransfer_1 example and added a few lines of code. When I run this on my laptop (LIGGGHTS 2.3 on a Mac) there's no problem.

If I take this exact same code and run it on my lab's server computer (LIGGGHTS 2.3 on Ubuntu) it goes all wonky. The pebbles act as if there are no walls, and the particles just fly out of the system. I narrowed it down to a single line of code. The suspect line is:

fix grow all adapt ${growevery} atom diameter v_dexpand

If I comment-out that line, the pebbles fill the volume just fine and there's no problem (I just don't see any thermal expansion). If I include it there's major problems.

I can't figure out why it would possibly go crazy on my server computer. I tried a whole host of things. I updated both versions to the most recent. I tried doing the server with just a single processor. I tried making the fix grow the atom to the original diameter. and nothing changes the fact that the particles fall out of the system.

Would anyone possibly have any idea why this fix would work fine on one machine and not on another?

qfhou | Wed, 03/13/2013 - 11:53

I tried according to the website. However, when I run 'make mac'. Errors are given below.
c++ -O -DLAMMPS_GZIP -I../STUBS -DFFT_FFTW -c cfd_datacoupling_mpi.cpp
In file included from cfd_datacoupling_mpi.cpp:31:
./myvector.h:37:1: warning: control reaches end of non-void function
[-Wreturn-type]
}
^
./myvector.h:44:1: warning: control reaches end of non-void function
[-Wreturn-type]
}
^
In file included from cfd_datacoupling_mpi.cpp:34:
./cfd_datacoupling_mpi.h:231:12: error: use of undeclared identifier
'MPI_UNDEFINED'
return MPI_UNDEFINED;
^
2 warnings and 1 error generated.
make[1]: *** [cfd_datacoupling_mpi.o] Error 1
make: *** [mac] Error 2

##when I run 'make mac_mpi', I got
make[1]: *** No rule to make target `fftw.h', needed by `fft3d.o'. Stop.
make: *** [mac_mpi] Error 2

Any idea?