UT theoretical chemistry code forum

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

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 ...

I can't reproduce your error. Can you try "make veryclean" and "make" again?

Thanks,
Jiyoung

Hi Jeff,

You can try v191 if you want. The type mismatch error issue should be fixed.

Thanks,
Jiyoung

Could you post your makefile.include, /src/makefile, and /src/.objects? I will try with my own vasp 6.3.0.

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

Hello Ming,

Thank you for your post.

The recent version of vtstcode is new so we haven't tested with VASP 6.3.0 with other compilers yet. In the meantime, this forum will be useful for you: http://theory.cm.utexas.edu/forum/viewtopic.php?p=25206#p25206.

Let me know if you have any other issue ...

Hi Jeff,

Thank you for the report. VTSTCODE v190 is pretty new so we haven't tested the version with the Nvidia HPC compiler yet.

I would recommend to use v184 in the meantime. I will attach v184 just in case you need. For installation, you can check this forum's reply: http://theory.cm.utexas ...

Hello,

The download file version was not updated. I just updated the download file so you should be able to get the vtstcode-188.tgz. If you can use svn command, you can also try "svn co http://theory.cm.utexas.edu/svn/vtstcode" in your terminal. If you want to use the version of 184 that you ...