Required subdirectories post build

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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jaime_gutierrez
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Required subdirectories post build

#1 Post by jaime_gutierrez » Thu Apr 10, 2025 3:43 pm

Hello,

Once the build process is completed for the VASP software, which of the VASP subdirectories are required when providing the software to a shared path (licensed user access only) within an HPC cluster?

Best Regards,
Jaime


michael_wolloch
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Re: Required subdirectories post build

#2 Post by michael_wolloch » Thu Apr 10, 2025 4:24 pm

Dear Jaime,

If you build VASP according to our guidelines and with the proper makefile.include, you will only have to make the executable accessible to the licensed users. They are put in the bin directory by default, but of course, you can copy them to any directory of your choosing.

Note that the users will have to have the same modules loaded that you used to build VASP (MPI, SCALAPACK, HDF5, etc), since VASP is using dynamic linking by default.

Let me know if this is a sufficient answer, or if you need more information,
all the best,
Michael


jaime_gutierrez
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Re: Required subdirectories post build

#3 Post by jaime_gutierrez » Thu Apr 10, 2025 4:41 pm

Hello Michael,

That is exactly what I needed to know, thank you.

Best Regards,
Jaime


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