Dear Developers,
I try to compile Lammps/22Aug18 with Intel 14.0, OpenMPI 1.8.1 and FFTW 3.3.4
Everything in the compiling process is run well, the process completed without any error released.
I get an executive file, say lmp_mpi
The problem is I cannot run this file, when I try with the text command:
mpirun -np 2 lmp_mpi
then I get an error message like this:
This looks like an MPI installation issue to me.
hi Stefan,
I did all the same process, but with lammps/11Aug17
Everything work well, I can run lmp_mpi normally.
I dont know why I cannot success with lammps/12Dec18 or lammps/16Mar18. I need the new versions since they have some new tools.
Can you suggest me somewhat to overcome this problem?
Thank.
hi Stefan,
I did all the same process, but with lammps/11Aug17
Everything work well, I can run lmp_mpi normally.
I dont know why I cannot success with lammps/12Dec18 or lammps/16Mar18. I need the new versions since they have some new tools.Can you suggest me somewhat to overcome this problem?
regardless of what you may think, this is *definitely* a problem with
your MPI library installation or how you use it. as the error appears
at run time, it may not even be a problem of compilation, but perhaps
an inconsistent use of the mpirun wrapper or selecting the suitable
runtime library path. possibly something has changed between you
compiled the 2017 version and later.
as all well written MPI applications, LAMMPS is *completely* agnostic
to the MPI implementation, so it will work with *any* MPI library, for
as long as it implements the required MPI APIs (mostly MPI API version
1 plus a few MPI API version 2 calls).
it is next to impossible to debug this from remote, so you have to
check and correct your MPI library installation yourself. i suggest
you first test with a simple MPI example code and see what you need to
make it work and then translate that to the LAMMPS installation.
for the latest LAMMPS version, you may also want to try out the CMake
based build, which is more flexible in adapting to your local setup.
axel.
Dear Axel,
Thank you so much for your patient and kindly explanation.
It’s seem that the old openmpi cannot handle the new lammps versions any more.
I tried with the newer openmpi version, and everything is working fine now.
Thank you.