Hello everyone,
I'm a new student at my university, and I need to install LAMMPS software to
perform some molecular dynamic simulations for my work. The cluster I am
working on has no root access for me (obviously) and I am installing everything
on my local account. I'm having some difficulty installing LAMMPS on my cluster
home account. I downloaded and installed openmpi, and had to edit ~/.bashrc to
add the line:
export PATH=/home/ras536/bin/openmpi/bin/:${PATH}
To get it to recognize that I had installed mpic++ and etc. Upon doing this, I
run:
$ mpic++
And I will succesfully obtain the message:
g++: no input files
So, I think, everything is fine with my openmpi1.1 (LAMMPS requieres this)
installation. However, when I try to make LAMMPS using:
$ make openmpi
I get errors like this:
mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
-DLAMMPS_GZIP -DFFT_FFTW -c memory.cpp
mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
-DLAMMPS_GZIP -DFFT_FFTW -c min_cg.cpp
mpic++ -O2 -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized
-DLAMMPS_GZIP -DFFT_FFTW -c min.cpp
min.cpp: In member function âvoid LAMMPS_NS::Min::force_clear()â:
min.cpp:547: warning: unused variable âiâ
And furthermore, upon trying to use the executable:
./lmp_yotta
I get this:
./lmp_yotta: error while loading shared libraries: liborte.so.0: cannot open
shared object file: No such file or directory
Any idea what might be going on? Am I missing linking stuff so that LAMMPS
building can proceed fine?
Thanks for the help,
