abinit-8.8.4 under Windows 10
Posted: Thu Sep 27, 2018 7:46 pm
Here is the successful install of abinit-8.8.4 under Windows 10
Ubuntu linux install
go to Programs & features > turn windows features on or off
activate the "windows subsytem for linux"
from microsoft store
install ubuntu 18.04 app
ubuntu bash window allows all command line operations.
local hard disks are already mounted
/mnt/c/...
/mnt/d/...
no GUI.
but there are work arounds discussed in internet
nano & VIM work fine
If you are behind proxy
-----------------------------------
proxy config for apt
edit apt.conf
nano /etc/apt/apt.conf
Add this line with your user id and password
Acquire::http::Proxy "http://username:password@proxy.xxxx.yy:portno";
--------------------------------
sudo apt-get update
sudo apt-get install make
sudo apt-get install python
sudo apt-get install gfortran
sudo apt-get install libatlas-base-dev liblapack-dev libblas-dev
sudo apt-get install libfftw3
---------------------
openmpi
---------------------
sudo apt-get update
sudo apt-get install openmpi-bin
sudo apt-get install openmpi-common
sudo apt-get install libopenmpi2
sudo apt-get install libopenmpi-dev
(some installs may be redundant. but no harm)
-----------------------------
abinit-8.8.4
-------------------------------
Download tar file and do usual install
for abinit parallel, this config worked (but it did not install atompaw even with fallback option. anyway it can be compiled later for generating PAW potentials)
../configure --with-dft-flavor="libxc+atompaw" --enable-mpi FC=/usr/bin/mpif90 CC=/usr/bin/mpif90 --with-mpi-incs="-I/usr/include" --with-mpi-libs="-L/usr/lib -lmpi"
make mj4
make check
sudo make install
---------------------------
-rajaraman
Ubuntu linux install
go to Programs & features > turn windows features on or off
activate the "windows subsytem for linux"
from microsoft store
install ubuntu 18.04 app
ubuntu bash window allows all command line operations.
local hard disks are already mounted
/mnt/c/...
/mnt/d/...
no GUI.
but there are work arounds discussed in internet
nano & VIM work fine
If you are behind proxy
-----------------------------------
proxy config for apt
edit apt.conf
nano /etc/apt/apt.conf
Add this line with your user id and password
Acquire::http::Proxy "http://username:password@proxy.xxxx.yy:portno";
--------------------------------
sudo apt-get update
sudo apt-get install make
sudo apt-get install python
sudo apt-get install gfortran
sudo apt-get install libatlas-base-dev liblapack-dev libblas-dev
sudo apt-get install libfftw3
---------------------
openmpi
---------------------
sudo apt-get update
sudo apt-get install openmpi-bin
sudo apt-get install openmpi-common
sudo apt-get install libopenmpi2
sudo apt-get install libopenmpi-dev
(some installs may be redundant. but no harm)
-----------------------------
abinit-8.8.4
-------------------------------
Download tar file and do usual install
for abinit parallel, this config worked (but it did not install atompaw even with fallback option. anyway it can be compiled later for generating PAW potentials)
../configure --with-dft-flavor="libxc+atompaw" --enable-mpi FC=/usr/bin/mpif90 CC=/usr/bin/mpif90 --with-mpi-incs="-I/usr/include" --with-mpi-libs="-L/usr/lib -lmpi"
make mj4
make check
sudo make install
---------------------------
-rajaraman