when I start running maps -d &, the program starts generating structures. However, when I run pollmach runstruct_vasp &, the program gives an error:
/opt/aci/sw/vasp/5.4.1_intel-2015.0.090/bin/vasp_std: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
I have double checked that the mkl library is indeed in the path. Also when I go to each directory on my own and run vasp, it runs fine. I dont know why when ATAT launches vasp, I get this error.
I think the issue comes from the fact that when you run vasp directly from your shell (presumably bash) it reads a configuration file (.profile or .bashrc for instance) that properly sets your LD_LIBRARY_PATH variable to point to where your shared libraries are. When you run through ATAT, some of my scripts use csh and the corresponding config file (.cshrc for instance) does not set the LD_LIBRARY_PATH properly.
The solution: look for LD_LIBRARY PATH in your config files (.profile or .bashrc) and copy the info into your .cshrc file, making sure you adapt the syntax for csh instead of sh.