Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.
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husakm
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#1
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by husakm » Thu Nov 28, 2024 9:18 pm
Hi
I had successfully compiled several QM programs (Quantum Espresso, CASTEP) on Windows
by the help of Cygwin or MSYS2 environment.
VASP resist
Issues:
1) In MSYS2 the compilations stop on following :
timing_.c #include <times.h>
Not full POSIX emulation ?
2) On Cygwing the compilations stops immediately after :
rsync -u ../../src/*.F ../../src/*.inc .
make[1]: *** [makefile:137: sources] Error 127
If anybody have any experiences with native VASP build, please let me know ...
Michal Husak, UCT Prague
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pedro_melo
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#2
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by pedro_melo » Fri Nov 29, 2024 10:38 am
Dear husakm,
I am unfamiliar with compilation on Windows, so I would ask you to share the compilation files/setup you are using that gives these errors.
Kind regards,
Pedro
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pedro_melo
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#3
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by pedro_melo » Mon Dec 02, 2024 1:40 pm
Dear husakm,
I spoke with my colleagues, and the verdict was that Cygwin is not a good platform to use for installing VASP. We advise you to try using WSL2 instead, since it was specifically developed by Microsoft to be compatible with Linux developed tools. Please try the following steps:
Install WSL2 following these instructions.
Go to the Microsoft store and search for 'WSL Ubuntu' and install the latest release.
Start the WSL Ubuntu and install VASP.
Kind regards,
Pedro
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pedro_melo
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#4
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by pedro_melo » Mon Dec 02, 2024 2:27 pm
Dear kusakm,
Furthermore, you can see here some examples of instructions on how to install VASP on Ubuntu.
Kind regards,
Pedro
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husakm
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- Joined: Thu Nov 28, 2024 12:03 pm
#5
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by husakm » Fri Dec 06, 2024 3:12 pm
Generally it is a bit pity that almost all Linux targeted quantum mechanic programs can be ported to Windows by the help of cygwin or MSYS2 environment. I need to have VASP as Windows binary not dependent on the Windows Linux subsystem ... A cygwin/MSYS2 buidl works on Windows without any dependence on Linux. I believe it is not an issue with cygwin because it generate under Windows a complete POSIX environment, but an issue with VASP makefile ... I will post the exact identification of the point in witch the compilation failed ...