Trouble compiling the source code

Hi,

I'm an undergraduate researcher at Stony Brook University, I'm
literally just starting to explore LAMMPS, and I'm also not that
knowledgeable about Linux.

So I'm trying to create an executable, but when i tried the command
make -f Makefile.list linux it spat out a error saying it couldn't
find a bunch of .d files, When making the Makefile.list file the make
makefile command had the error that it couldn't find grep:angle_*.h,
grep: dihedral_*.h, and grep: improper_*.h, no .h files were included
that began with angle_, dihedral_, or improper_ either.

Not sure where the error is here, your help is greatly appreciated

~Nickhil Rokkam

Hi,

I'm an undergraduate researcher at Stony Brook University, I'm
literally just starting to explore LAMMPS, and I'm also not that
knowledgeable about Linux.

then you should first get hold of somebody _locally_ that knows
about linux, makefiles and compilers. that will help you more than
anybody can do over e-mail.

So I'm trying to create an executable, but when i tried the command
make -f Makefile.list linux it spat out a error saying it couldn't
find a bunch of .d files, When making the Makefile.list file the make

that is normal. this is just a warning.

makefile command had the error that it couldn't find grep:angle_*.h,
grep: dihedral_*.h, and grep: improper_*.h, no .h files were included
that began with angle_, dihedral_, or improper_ either.

Not sure where the error is here, your help is greatly appreciated

you are only trying the second best option that is recommended only
for platforms without GNU make. linux has GNU make as default,
so editing src/MAKE/Makefile.linux to suit your needs and then
doing a: make linux
should do the trick.

everything else is most likely an issue of needing to adjust the settings
to a local machine, and that is better solved by somebody locally that
knows about the machine and can see what is installed.

cheers,
    axel.

Hey,

So I probably should have said before, I'm just trying to run the
examples that are given, I haven't started doing anything fancy yet.
I'm also running Ubuntu on a Virtual machine w/ VMware (if that
changes anything).

So I also noticed that whenever I run sudo make linux the list of
things it can't find seems to get smaller by one (the last entry is
not there on the next try), it then stops on the error that it can't
find the last one. I also get the error /bin/sh icc: not found, and
noticed that /bin/sh is a shortcut to dash, not bash.

Unfortunately the linux guy I'd be going to left early today, so if
this doesn't work I'll try again tommorrow.

Hey,

So I probably should have said before, I'm just trying to run the
examples that are given, I haven't started doing anything fancy yet.
I'm also running Ubuntu on a Virtual machine w/ VMware (if that
changes anything).

that is fine. it will make calculations slower, but for learning to use
LAMMPS it doesn't make a difference, since the tests are fast.

So I also noticed that whenever I run sudo make linux the list of

nooooooo!!! never use "sudo" without knowing why. this is a _very_
bad habit that both MacOS X and Ubuntu inflict on people. if make
linux doesn't work, adding sudo won't make it work better. an application
like LAMMPS is not a system program, so it doesn't require _any_
system privileges. using sudo carelessly can damage your installation!

things it can't find seems to get smaller by one (the last entry is
not there on the next try), it then stops on the error that it can't
find the last one. I also get the error /bin/sh icc: not found, and

the linux makefile is for a workstation with the intel icc compiler installed.
obviously, you don't have it. try "make g++3" instead. alternatively you
can try "make serial" but then you have to replace all "g++4" with "g++"
and compile the STUBS library (just cd into the directory and type "make").

noticed that /bin/sh is a shortcut to dash, not bash.

that is fine. dash is actually much more like how /bin/sh is supposed to be
than /bin/bash. bash has many extra features in addition.

Unfortunately the linux guy I'd be going to left early today, so if
this doesn't work I'll try again tommorrow.

this is really fairly basic stuff, so there may be others that can
help you, too.
this is no rocket science, but less and less people are accustomed to
compiling applications by themselves, so there is less "residual knowledge".
many, many moons ago, software was distributed almost exclusively as
sources since computers/workstations were often very different with different
architectures and different operating systems.

cheers,
    axel.

So, it's still missing mpi.h when i use make g++3, i remember seeing
it somewhere, either in some documentation or requirement. Apparently
I can use the one included in STUBS.

Also, I checked the permissions on the files that i extracted and they
all list the owner as root, so I can't edit any of them. I extracted
them to /home/nrokkam/LAMMPS. the error went away when i extracted it
somewhere else, just curious why.

So I copied the mpi.h from stubs into src and it gave me a different
error: missing fftw.h

~Nickhil Rokkam

So, it's still missing mpi.h when i use make g++3, i remember seeing
it somewhere, either in some documentation or requirement. Apparently
I can use the one included in STUBS.

Also, I checked the permissions on the files that i extracted and they
all list the owner as root, so I can't edit any of them. I extracted
them to /home/nrokkam/LAMMPS. the error went away when i extracted it
somewhere else, just curious why.

So I copied the mpi.h from stubs into src and it gave me a different

nononono!!!

error: missing fftw.h

please re-read the lammps documentation.
don't improvise without knowing what you are doing.

axel.