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VASP 6.3.0 installation issue
Posted: Wed Feb 09, 2022 2:01 am
by SSEL_UNIST
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
Re: VASP 6.3.0 installation issue
Posted: Thu Feb 10, 2022 6:20 am
by marie-therese.huebsch
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
Re: VASP 6.3.0 installation issue
Posted: Fri Feb 11, 2022 5:19 am
by SSEL_UNIST
Hi, Marie-Therese
I have attached the makefile.include and stdout here as you suggested.
Thank you
Regards
Re: VASP 6.3.0 installation issue
Posted: Mon Feb 14, 2022 1:13 pm
by ferenc_karsai
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
Re: VASP 6.3.0 installation issue
Posted: Wed Feb 16, 2022 6:32 am
by SSEL_UNIST
HI,
Thank you for reply and suggestion.
Now I have installed VASP on GPU.
It is running well.
Thanks once again.
Regards
Re: VASP 6.3.0 installation issue
Posted: Wed Feb 16, 2022 8:29 am
by ferenc_karsai
I'm glad we could help.