[Wannier] Parallel Installation of postw90.x?
Stephen Zhang
lolzen at berkeley.edu
Wed Feb 17 00:58:54 CET 2021
Hi everyone,
I've been struggling to install the parallel version of postw90.x and I
wanted to ask if anyone has had these issues and could possibly chime in my
situation? I've successfully installed both the serial and serial (with
parallel executables) version of postw90.x, but not the parallel version.
In my job script, I load in the required modules with their version numbers
which allows for Quantum Espresso to detect a parallel environment
My job script looks a little something like this
module load gcc/7.4.0 openmpi/4.0.1-gcc
./configure
make all
make w90
cd wannier90-3.1.0
make all
I typically have to make wannier90 separately because for some reason in
the first make all, the folder for wannier90 is not created.
I know that in order to achieve the parallel version of wannier90.x and
postw90.x, I have to modify my make.inc file, however for some reason,
after I run make w90, wannier90.x and postw90.x are already in my
wannier90-3.1.0 directory and are in serial. So after I modify my make.inc
file and run make all in my wannier90 directory, wannier90.x and postw90.x
remain unchanged in their serial form. If anyone has any advice on how to
tackle this issue, I'd really appreciate it.
Thanks,
Stephen
--
*University of California, Berkeley*
*Department of Letter and Sciences*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20210216/00fa493e/attachment.html>
More information about the Wannier
mailing list