UT theoretical chemistry code forum

Hi,
I need a help to compile the VTST on VASP 6.3.2. When I was installing VTST this error popped out. This is the error message;
No rule to make target `pyamff_fortran/*.f90', needed by `pyamff_fortran/*.o'. Stop.

I followed the all instructions which is mentioned on https://theory.cm.utexas.edu/vtsttools/ ... ation.html.
I copied the all file to vasp/src file and pyamff_fortran file to vasp/scr directory and put all objects in the .objects
(bfgs.o dynmat.o instanton.o lbfgs.o sd.o cg.o dimer.o bbm.o \
fire.o lanczos.o neb.o qm.o \
pyamff_fortran/*.o ml_pyamff.o \
opt.o)

Finally I put LIB= lib parser pyamff_fortran and dependencies: sources libs on the makefile in vasp/src
I have attached makefile.include, /src/makefile, and src/.objects
Could you please help me to figure out and then compile the VTST on VASP.
Thank you.

Hi Sam,

It looks like your variable LIB in your /src/makefile is not set properly. Check the line number 17 and add pyamff_fortran there. Make sure that you remove the line number 146 (that you set your LIB variable with pyamff_fortran). Could you try again and let me know?

Thanks,
Jiyoung

Hi,
Thank you so much and really appreciate you and your guidance. So I could compile the VTST on VASP 6.3.2 successfully by following your steps.
Thanks again.