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error compiling VASP 6.3.0 with VTST
Posted: Mon Dec 26, 2022 9:19 am
by k.nishi
Dear developers,
When I tried to make with vtstcode-190 on vasp 6.3.0, I got an error.
"""""""
make[2]: *** No rule to make target 'pyamff_fortran/*.f90' required by 'depend'.
"""""""
What are the possible causes?
I think I followed the instructions before making, but I'm not sure.
Re: error compiling VASP 6.3.0 with VTST
Posted: Mon Dec 26, 2022 4:17 pm
by jiyoung
Hello,
Did you copy the directory pyamff_fortran in vtstcode-190 to your vasp/vasp.6.3.0/src? Make sure that you have the directory in your src. Let me know if you still have an issue.
Thanks,
Jiyoung
Re: error compiling VASP 6.3.0 with VTST
Posted: Tue Dec 27, 2022 3:08 am
by k.nishi
Hello jiyoung,
Thank you for your reply.
After confirming, the directory "pyamff_fortran" is put in src of vasp as a directory.I put all files and directorys into src .
According to the guide, I wrote pyamff_fortran/*.o in the .object file.
But as a try, when I wrote pyamff_fortran/adam.o pyamff_fortran/atom.o ... as each file , it was displayed like this.
"""""""
make[2]: *** No rule to make target 'pyamff_fortran/adam.f90' required by 'depend'.
"""""""
I don't know much about how makefiles work, but bfgs.o dynmat.o ... written in .object before pyamff_fortran/*.o seems to be successfully made.
It seems that it cannot make anything in the pyamff_fortran/ directory to create "depend" written in the makefile in the src directory.
Can this be solved by moving the files in pyamff_fortran/ directory to src directory one level higher and setting .object to adam.o instead of pyamff_fortran/adam.o?
By the way,I wrote LIB = lib parser pyamff_fortran in the src makefile.
However, the files in the lib and parser directories are not written in .object.
Is there a possibility that it will be made through other paths that lib and parser pass, even if pyamff_fortran/*.o is not written in .object ?
Thanks,
k.nishi
Re: error compiling VASP 6.3.0 with VTST
Posted: Tue Dec 27, 2022 3:00 pm
by jiyoung
Could you post your makefile.include, /src/makefile, and /src/.objects? I will try with my own vasp 6.3.0.
Jiyoung
Re: error compiling VASP 6.3.0 with VTST
Posted: Wed Dec 28, 2022 2:51 pm
by k.nishi
Thank you for your cooperation.
These are my files.
I add .txt extention to send so please remove it.
I elased variable MKLROOT HDF5_ROOT in makefile.include
Re: error compiling VASP 6.3.0 with VTST
Posted: Mon Jan 02, 2023 4:03 pm
by jiyoung
I can't reproduce your error. Can you try "make veryclean" and "make" again?
Thanks,
Jiyoung
Re: error compiling VASP 6.3.0 with VTST
Posted: Tue Jan 03, 2023 3:12 am
by sung
@k.nishi:
If you were doing "make" in parallel, could you try doing it serially? (just the "make" command, instead of "make DEPS=1 -jxxx all")
Re: error compiling VASP 6.3.0 with VTST
Posted: Tue Jan 03, 2023 3:17 am
by sung
and if you get another error about "ML_PYAMFF", try removing line 91 ( $(VTST_OBJS) \ ) in the src/makefile
Re: error compiling VASP 6.3.0 with VTST
Posted: Tue Jan 03, 2023 3:36 am
by jiyoung
Thank you for your patience. To compile vasp in parallel, you need one more modification of your /src/makefile.
For dependencies, you need libs, i.e.,
dependencies: sources libs
$(MAKE) depend
This should fix the error. Thank you for your report. We will update the installation docs.
Best,
Jiyoung
Re: error compiling VASP 6.3.0 with VTST
Posted: Sat Jan 14, 2023 3:56 am
by k.nishi
Dear Jiyoung and Sung,
Thank you so so so much. I was able to compile.