VASP Installation for GPU CUDA support

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


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b_lack

VASP Installation for GPU CUDA support

#1 Post by b_lack » Fri Jan 27, 2012 4:33 am

Hi all,

I'm kind a bit new in VASP and Linux so may be my question is kind a bit silly,

I try to install VASP using pgi, and I already add some library needed like FFTW & BLAS (because gotoBLAS2 and ATLAS still show an error when compiled using pgi), but at the end it still have some error message, it says kind mismatch, but I'm not quite get it what kind of mismatch?
Someone can help me?

These are the error message :

pgf90 -i8 -Mfree -Mcache_align -O2 -c pot.f
PGF90-S-0450-Argument number 1 to fexcg: kind mismatch (pot.f: 176)
0 inform, 0 warnings, 1 severes, 0 fatal for potlok
PGF90-S-0450-Argument number 1 to fexcg: kind mismatch (pot.f: 388)
0 inform, 0 warnings, 1 severes, 0 fatal for potxc
make: *** [pot.o] Error 2

Thanks, :)
Last edited by b_lack on Fri Jan 27, 2012 4:33 am, edited 1 time in total.
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alex
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VASP Installation for GPU CUDA support

#2 Post by alex » Fri Jan 27, 2012 9:59 am

Hi,

kind mismatches appears if you mix, e.g. Integer*4 and Integer*8. This happens often if you call a subroutine with non-matching definitions.

Cheers,

alex
Last edited by alex on Fri Jan 27, 2012 9:59 am, edited 1 time in total.
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