Dear Steve
I have doubt in how do I include the reax pacakge in the LAMMPS build?
make yes-reax
make g++
Where do I include both this line into?
I would be greatly appreciative of your help!
Thank you so much in advance! 
Best Regards
Bee
Those are commands you type at the command line, to
build LAMMPS. I suggest you read Section start of the
manual, which goes thru this a step at a time.
Steve
Dear Steve
I have read the website http://lammps.sandia.gov/doc/Section_start.html#start_3
But I still have some doubt about it. I have followed the instructions to download the openmpi and ftt library. However, there are so many sub-folders inside.
For instance I tried to run the Makefile.mk in src\mpi folder, I get error output file like this,
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 8: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 8: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 9: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 9: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 10: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 10: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 11: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 11: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 12: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 12: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 13: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 13: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 14: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 14: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 15: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 15: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 16: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 16: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 17: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 17: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 18: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 18: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 19: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 19: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 20: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 20: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 21: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 21: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 22: top_srcdir: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 22: include: command not found
/var/spool/torque/mom_priv/jobs/1550395.hpcheadnode.SC: line 59: syntax error: unexpected end of file
I just want to include the reax package but I can’t seem to do it.
Also, I saw this Makefile.openmpi file in the LAMMPS package. Under src\MAKE folder, would that be possibly useful?
I would really hope to get some useful advice from you. I would be really greatly appreciative for your time and effort!
Best Regards
Bee
Dear Steve
I have read the website
http://lammps.sandia.gov/doc/Section_start.html#start_3But I still have some doubt about it. I have followed the instructions to
download the openmpi and ftt library. However, there are so many
sub-folders inside.For instance I tried to run the Makefile.mk in src\mpi folder, I get error
output file like this,
you appear to have no knowledge/understanding of doing compilation
under linux, yet that is a prerequisite. please find somebody local that
can help you. nobody here has the time to give you are personal
consultation on how to compile an application on a parallel linux machine.
axel.
Both MPI and FFTW are typically built on a Linux box by
simply typing "./configure; make" in their home dirs.
As Axel said, you probably want a Linux savvy person to
help you, if this does not make sense.
Steve