VASP 6.3.0 installation issue

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


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SSEL_UNIST
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VASP 6.3.0 installation issue

#1 Post by SSEL_UNIST » Wed Feb 09, 2022 2:01 am

Hi,
I never installed VASP before, I followed instructions mentioned on wiki/index.php/Installing_VASP.6.X.X

Unfortunately, I am not able to create the makfile for my " Ubuntu 20.4 (AMD Ryzen 7) system.

Please help me to solve it.

Regards

marie-therese.huebsch
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Re: VASP 6.3.0 installation issue

#2 Post by marie-therese.huebsch » Thu Feb 10, 2022 6:20 am

Hi,
Sure we can try to figure it out. Can you please post more information, like the makefile.include that you used and the stdout that shows how the installation fails?
Have a look at the Forum guidelines as a reference.

Best regards,
Marie-Therese

SSEL_UNIST
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Re: VASP 6.3.0 installation issue

#3 Post by SSEL_UNIST » Fri Feb 11, 2022 5:19 am

Hi, Marie-Therese
I have attached the makefile.include and stdout here as you suggested.

Thank you

Regards
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ferenc_karsai
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Re: VASP 6.3.0 installation issue

#4 Post by ferenc_karsai » Mon Feb 14, 2022 1:13 pm

You are using an older makefile.include, that can lead to various complications.
In the VASP.6.3.0/arch folder there are newer templates for makefile.include using gfortran,

First please try one of those as template and provide the path for the following in the makefile.include:
OPENBLAS_ROOT
SCALAPACK_ROOT
FFTW_ROOT

SSEL_UNIST
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Re: VASP 6.3.0 installation issue

#5 Post by SSEL_UNIST » Wed Feb 16, 2022 6:32 am

HI,
Thank you for reply and suggestion.
Now I have installed VASP on GPU.
It is running well.

Thanks once again.

Regards

ferenc_karsai
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Re: VASP 6.3.0 installation issue

#6 Post by ferenc_karsai » Wed Feb 16, 2022 8:29 am

I'm glad we could help.

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