Installation of (parallel) Abinit in Windows 10

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Installation of (parallel) Abinit in Windows 10

Post by jbarrat » Sun Jan 27, 2019 3:37 pm

Dear all,

I am sorry if this question has already been asked/answered, but I have searched through the forum and could not find an answer specific to my issue. I have access to a 28-processor machine, and I would like to use it for making calculations in parallel in Abinit. Before even trying to install it, I realized that (i) I don't know how to install Abinit for parallel uses (I used only the sequential version on my laptop so far), and (ii) I have never compiled Abinit for Windows 10.

I have heard that this installation process should be a really painful experience, so I thought I'd better ask here before I start. Also, maybe there already exists some binaries that I would just have to copy to my system? That would be ideal of course. So far I have seen only binaries of the 7.4 version (I think). Would it be possible for me to use those, and if yes what would the limitations be? The calculations I am intending to do are only about relaxing a supercell with GGA potentials. I use ionmov=2 (BFGS) and sometimes ionmov=6 (molecular dynamics).

Many thanks in advance for your suggestions.

Best regards.


P.S.: I do not have admin access on the supercomputer, so installing it on Ubuntu there is not possible. However my personal laptop is a Macbook with virtual machines of Ubuntu and Windows 7. Maybe I could install it there? But then, how can I configure the number of processors (if needed) and other parameters characteristic of the supercomputer?

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Re: Installation of (parallel) Abinit in Windows 10

Post by jbeuken » Thu Feb 14, 2019 10:50 am


take a look at the : viewtopic.php?f=2&t=3927

another solution : use the CygWin64 env :

Jean-Michel Beuken
Computer Scientist

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