Error while compiling VASP 6.3.2 on Ubuntu 22.04

[katsuaki_tanabe1]

Dear VASP users,

I am compiling VASP 6.3.2 on Ubuntu 22.04.1, by simply following the instruction of:
wiki/index.php/Personal_computer_instal ... untu_22.04

At the stage of compiling VASP by the command "make DEPS=1 -j", an error message came out:
"Fatal Error: Cannot open module file ‘c2f_interface.mod’ for reading at (1): No such file or directory",
and the "bin" subfolder is still empty, which may mean that the build process has not been completed.

It seems like I need the "c2f_interface.mod" file, but could not find the way in my search.

Could anybody help? I attach the stdout and makefile.include files for your reference.

Thanks,
-Katsuaki

[fabien_tran1]

Hi,

According to the various "Warning" in stdout.txt, some of the directories in makefile.include do not exist on your machine. You have to adapt the paths in makefile.include (and in your environment) specifically for your machine so that the libraries can be found. Note that if you don't need, for instance the HDF5-support, then you can disable it in makefile.include by commenting with # the whole HDF5 block. Besides, you can find some examples of makefile.inlcude on internet (search for "VASP" and "makefile.inlcude").

[katsuaki_tanabe1]

Thank you Fabien! The warnings you pointed out were due to my unsuccessful installation of libhdf5-openmpi-dev.
After a correct installation of libhdf5-openmpi-dev, all of the warnings were eliminated.

However, the error message
"Fatal Error: Cannot open module file ‘c2f_interface.mod’ for reading at (1): No such file or directory"
still exists, and the "bin" subfolder is still empty, so the compilation has not been done.

I attach the stdout and makefile.include files for your reference. Thanks. -Katsuaki

[fabien_tran1]

Hi,

Can you please show stdout.txt when you do a cleaning (with "make veryclean") before compiling (and for the moment only for vasp_std):
cd ~/my_vasp_installation
make veryclean
make DEPS=1 std

[katsuaki_tanabe1]

Thanks again, Fabien! Following your advice, I did "make veryclean" in my VASP directory "vasp.6.3.2", and did "make DEPS=1 std". The attachment is the resulted stdout. Could you take a look? -Katsuaki

[fabien_tran1]

According to stdout.txt, it seems that the compilation finished properly, and the executable vasp_std should now be in the bin directory. Is it not the case?

[katsuaki_tanabe1]

Yes, you are right. After the operation of "make DEPS=1 std", the "vasp_std" file was generated in the bin directory. Subsequently, I have operated "make DEPS=1 -j", and then two more files "vasp_gam" and "vasp_ncl" have been generated in the bin. Moreover, I saw no error or warning message in the "make DEPS=1 std" and "make DEPS=1 -j" operations. Therefore, as you pointed out, the VASP compilation may have successfully done. It seems like the "make veryclean" operation you advised worked. Thank you very much!