Error Pops VTST on VASP 6.3.2

Vasp transition state theory tools

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Sam
Posts: 7
Joined: Thu Feb 02, 2023 3:58 pm

Error Pops VTST on VASP 6.3.2

Post by Sam »

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.
Attachments
objects.txt
(3.82 KiB) Downloaded 234 times
makefile.txt
(4.62 KiB) Downloaded 259 times
makefile.include.txt
(2.24 KiB) Downloaded 248 times
jiyoung
Posts: 9
Joined: Fri Dec 02, 2022 4:24 am

Re: Error Pops VTST on VASP 6.3.2

Post by jiyoung »

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
Sam
Posts: 7
Joined: Thu Feb 02, 2023 3:58 pm

Re: Error Pops VTST on VASP 6.3.2

Post by Sam »

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.
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