Dear Lammps Users,
We are trying to install Lammps (Dec 9 2014), with the Meam library, in parallel, onto an Ubuntu 14.04 LTS system. The hardware is HP Z820 with 16 cores and 128GB of memory. We require parallel so the users can run simulations much more efficiently than in serial mode.
We are having problems getting it install, and hoping for help. Here’s what we’ve done so far:. Using the documentation as a guide, we have done the following:
Is MPI installed already? Yes. We have mpich, mpich2, and open mpi. (openmpi-bin 1.6.5-8, from Ubuntu repository)
We downloaded and untarred newest lammps (Dec 9th 2014)
meam library is required, so we did:
/usr/local/lammp…/lib/meam/ sudo make -f Makefile.gfortran
however, we are wondering if we need to do a make for Makefile.min64-cross-mpi, because we MUST have parallel lammps (using more than 1 core for a simulation)? We didn’t do this because documentation doesn’t say anything about it
upon reading documentation, section “Step 0”, we think we have to run src/MAKE/OPTIONS/make Makefile.ompi_g++, but when we run that we get nothing, no error just nothing to be done:
[email protected]…5446…:/usr/local/lammps-9Dec14/src/MAKE/OPTIONS$ sudo make Makefile.ompi_g++
make: Nothing to be done for `Makefile.ompi_g++’.
- so, maybe we don’t need the above step?
Looked online and found this person who suggests using the MACHINE makefile for Ubuntu:
- trying this setup (MACHINE install): http://katter-world.blogspot.com/2010/05/install-lammps-on-ubuntu.html
- downloaded edited Makefile.ubuntu and trying: make ubuntu (also tried make Makefile.ubuntu)
- does not work,we get the following error:
… (many more lines like this)
Makefile:40: velocity.d: No such file or directory
Makefile:40: verlet.d: No such file or directory
Makefile:40: write_data.d: No such file or directory
Makefile:40: write_dump.d: No such file or directory
Makefile:40: write_restart.d: No such file or directory
make: *** No rule to make target
write_restart.d'. Stop. make: Leaving directory /usr/local/lammps-9Dec14/src/Obj_ubuntu’
make: *** [ubuntu] Error 2
At this point we are stuck. We’ve tried reading the documentation. I do have experience compiling on Linux and such, but yet I do need help.
Please let me know if you have an idea on how to help.
Appreciate your time and effort,