Problems when compiling VASP with bdrpro.F

Bader charge density analysis

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ecustman
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Joined: Wed Jun 19, 2013 7:57 am

Problems when compiling VASP with bdrpro.F

Post by ecustman »

Dear Prof. Dr. Henkelman,
I'm trying to compile VASP.5.2.12 with bdrpro.F to perform DOS projection in Bader volumes. But I have encountered a problem during the linking period.
It always shows the following error message:

main.o: In function `MAIN__':
main.f90:(.text+0x3d8d3): undefined reference to `bdrpro_'
main.f90:(.text+0x3dabb): undefined reference to `bdrpro_'

But what made me confused is that I could find the bdrpro.o file in current directory. Moreover, when I compile VASP.5.2.2 with this file, I didn't encounter this problem. So maybe it's because I use a relative low version of VASP.

Finally, the compiler I used is mvapich-1.2.0. Can anybody give some suggestions? Thanks in advance! If the makefile is necessary, I will post it then.

Best regards,
Xinchao
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