Dear experts,
I have configured my lammps-daily with pre-built Ubuntu version. Now I have installed g++, build-essentials, and MPI etc. But I have problem making atc package. I am not sure if I can do that without making my own lammps from beginning.
I have downloaded a separate tarball. I checked the readme, the is no libatc.a, because I did not build a library. The make.lammps.installed does not have syspath configured. I searched “lammps” but I can not find the folder where the lammps-daily was installed.
I do not want to go to beginning and configure everything. But if there is no other choice I would have to take that way.
Another thing, in this document: http://lammps.sandia.gov/workshops/Feb10/Jonathan_Zimmerman/AtC_LAMMPSWorkshop.pdf, there is a command “fix_modify AtC transfer” which is not documented in either old/new version online documentation. Is it replaced with other commands?
Thank you everyone for help.
Best,
Dear experts,
I have configured my lammps-daily with pre-built Ubuntu version. Now I have
installed g++, build-essentials, and MPI etc. But I have problem making atc
package. I am not sure if I can do that without making my own lammps from
beginning.
no. you cannot add a package to a pre-compiled binary after the fact.
you will have to compile a new executable from scratch. instructions
for compiling LAMMPS on ubuntu have been posted to this very mailing
lists multiple times. there also are ubuntu specific makefiles in
src/MAKE/MACHINES. be sure to read the comments in there and the
information in the LAMMPS manual about compiling LAMMPS and
specifically about compiling packages with additional libraries.
I have downloaded a separate tarball. I checked the readme, the is no
libatc.a, because I did not build a library. The make.lammps.installed does
not have syspath configured. I searched "lammps" but I can not find the
folder where the lammps-daily was installed.
I do not want to go to beginning and configure everything. But if there is
no other choice I would have to take that way.
if you don't feel comfortable compiling software from source, you will
probably benefit from the assistance of a colleague or local expert
that has experience with it.
Another thing, in this document:
http://lammps.sandia.gov/workshops/Feb10/Jonathan_Zimmerman/AtC_LAMMPSWorkshop.pdf,
there is a command "fix_modify AtC transfer" which is not documented in
either old/new version online documentation. Is it replaced with other
commands?
this is from six years ago. things have changed quite a bit since.
axel.