I have never used Lammps and the KIM api before, and I wanted to get a very simple lattice parameter versus temperature curve for Aluminum using the Mendelev potential
It seems like this has already been done, as the above link shows the result for the coefficient of thermal expansion, which is just the slope of the curve that I wish to plot. I wished to get some guidance about what’s the best way to tweak the thermal expansion test to get the plot I want.
I use a Mac (OS X 10.9.5) and downloaded the latest lammps and kim-api tarballs from the corresponding websites, but I am struggling to install the KIM_API, which I thought was necessary before i went along installing Lammps.
I tried ./configure in the kim-api-v1.8.2 folder, but that somehow didn’t find any compilers
checking for the GNU Compiler Suite (gcc, g++, gfortran)… no
checking for the INTEL Compiler Suite (icc, icpc, ifort)… no
unable to identify a complete compiler suite. Exiting.
Then I tried just using ‘make’ by renaming the example makefile, but it gave me an error saying:
make: *** No rule to make target `/Users/Ishan/kim-api-v1.8.2/build_system/Makefile.Generic’. Stop.
Can someone please guide me through this process?(If possible, both the installation of KIM and Lammps?) Thank you very much in advance!