Dear Prof. Blaha, *Lau*rence Marks, and Gavin Abo,
Thanks for your valuable suggestions, Currently I am working with your
suggestions and I will let you inform if the problem is solved.
For Prof. Laurence Marks:
Sir these were my options during installation (k-point parallelization)
*System:
Dear wien2k experts and users,
I am using wien2k version 14.2 on a queuing system (SGE), with intel
compiler 11.1, MPI libraries mpi/openmpi-1.6.3 and math libraries
fftw-3.3.4. With these options I install Wien2K without any compile time
error.
The purpose of my calculation is to find the stable
From a brief Google search this is an mpi error.
How did you compile, it is easy to use wrong blacs combinations.
Have you run simpler cases such as TiC first?
---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
An additional comment, in the post at:
https://arc.liv.ac.uk/pipermail/gridengine-users/2010-October/032729.html
You can see that they have the error of the form:
error: commlib error: got select error (Connection reset by peer)
error: executing task of job x failed: failed sending task to
The comlib error is certainly a system error, where the communication
between the nodes is broken somehow.
From wien2k you got the error that in the sumpara step (after lapw2) it
could not find the filePr-Af.scf2up_31
So the first question you have to pose yourself is: do I have this
Dear wien2k experts and users,
I am using wien2k version 14.2 on a queuing system (SGE), with intel
compiler 11.1, MPI libraries mpi/openmpi-1.6.3 and math libraries
fftw-3.3.4. With these options I install Wien2K without any compile time
error.
The purpose of my calculation is to find the stable
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