Queries about input and output files, running specific calculations, etc.
Moderators: Global Moderator, Moderator
-
jpg
- Newbie
- Posts: 14
- Joined: Sat Sep 21, 2013 2:03 am
-
Contact:
#1
Post
by jpg » Fri Jul 11, 2025 6:06 pm
A user at SDSC ( www.sdsc.edu) was trying to run a vasp job on our expanse cluster ( www.sdsc.edu/systems/expanse/user_guide.html)
The error message was:
Computing MMN
| LPRJ_CALC_WANNIER_TRAFO: DGESDD returned: 6 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------
Attached are the OUTCAR and input files.
Thanks,
Jerry
You do not have the required permissions to view the files attached to this post.
-
alexey.tal
- Global Moderator
- Posts: 416
- Joined: Mon Sep 13, 2021 12:45 pm
#2
Post
by alexey.tal » Mon Jul 14, 2025 11:48 am
Dear Jerry,
Thank you for your question.
I've tried to run this calculation with VASP 6.2.1 and I was not able to reproduce this error. What compiler and libraries are you using? Could you provide your makefile.include? Also, we have a list of toolchains we tests ourselves. Are you building VASP with one of the toolchains from this list?
Also, I imagine that this problem would show for other calculations. Were you able to run all tests from the testsuite with this version of VASP?
Best,
Alexey