Hello All,
I am looking to use either Blue Gene/L or Blue Gene/P nodes, has anyone successfully compiled a binary file for either? If so, could you share the file?
-Emil
Hello All,
I am looking to use either Blue Gene/L or Blue Gene/P nodes, has anyone
successfully compiled a binary file for either? If so, could you share the
file?
mind you, those are usually not very portable. what is your problem in
compiling lammps on any of those machines? LAMMPS' requirements
are fairly light, the only real external dependency is to cross compile fftw2
if it doesn't exist already. if you stick to the mainline LAMMPS code.
axel.
emil,
please always keep the mailing list in cc:
Axel,
Thank you. I ask because I don't have any experience compiling code.
Unfortunately the tech support is not disposed, and suggested that I look
for a compiled binary of LAMMPS instead. Is the process of compiling LAMMPS
intuitive enough for a beginner to do?
it is straightforward, if you know a little bit about makefiles
and compilers, but not exactly intuitive.
tech support is often not the best source of help. have a look at who else
is running on the machine an if any of them are local, contact them. that
is usually the best way to get help.
There is an IBM and GNU cross-compiler on the access node of the cluster I
need. What do you mean by cross compile fftw2?
the blue gene architecture has different processors and a different
operating system on the compute nodes than you have on the login
machine. that means, that you need a compiler/linker that is an executable
for the host but creates compiled object files that would run on the
compute node. most source packages (like fftw) are not set up for that
by default. they "assume" that you want to run on the same type of
machine that you compile on (which is true for the majority of hardware).
since fftw is a widely used package, it may be available as a library on
the machine already (note, you need a version 2.x, _not_ 3.x).
please note, that LAMMPS ships with two example configuration for
BG/L machines, Makefile.bgl and Makefile.sdsc which would give you
the general gist of how to do a compile. you may need to look up where
the corresponding binaries are located on your machine and update
the makefile of your choice accordingly.
i've been compiling and using lammps on multiple BG/L machines in
the past and they do work fairly well. it has been a while, so i don't
know if there were any drastic updates to the operating system or compilers.
cheers,
axel.