bugFreeON - Bugs: bug #31612, LowdinO failure: DSYEVD flaked in...

 
 

bug #31612: LowdinO failure: DSYEVD flaked in RHEqs. INFO=53941543.

Submitter:  None
Submitted:  Wed 10 Nov 2010 12:34:51 PM UTC
   
 
Category:  FreeON Severity:  3 - Normal
Priority:  * 5 - Normal Item Group:  None
Status:  Confirmed Privacy:  Public
Assigned to:  nicolasbock Open/Closed:  Open
Operating System:  * GNU/Linux
* Mandatory Fields

Add a New Comment Rich Markup
   

Wed 10 Nov 2010 12:34:51 PM UTC, original submission:  

Hello!

Another problem with a FreeON calculation; it stops at the LowdinO stage, with the error message "DSYEVD flaked in RHEqs. INFO=53941543":

========================================================
[elias@eliashpi5 test02]$ tail freeonjob_20419.out
ParseMISC                        :: cleaning out scratch
ParseCoordinates                 :: parsing between <BeginGeometry> and <EndGeometry>
LoadPeriodic                     :: mass = 0.66946285D-23 kg = 0.40316000D+04 u
FreeON : MassageCoordinates      :: Input coordinates read in Angstroms
SpaceTimeSetUp                   :: creating 1 clumps
FreeON                           :: using MaxAngle = 5.0000000000000000 degrees
FreeON                           :: using MaxStre = 0.2999999999999999 Angstrom
SCF                              :: doing SCF
DSYEVD flaked in RHEqs. INFO=53941543
Unknown error: </home/elias/FreeON/inst/bin/LowdinO freeonjob_20419 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-freeonjob_20419-Fj6b9Q/>
[elias@eliashpi5 test02]$
[elias@eliashpi5 test02]$ time /home/elias/FreeON/inst/bin/LowdinO freeonjob_20419 OneElectronMatrices 0 1 1 0 1 1 /tmp/FreeON-scratch-freeonjob_20419-Fj6b9Q/
DSYEVD flaked in RHEqs. INFO=53941543
 GOING DOWN GOING DOWN GOING DOWN GOING DOWN GOING DOWN
 <<DSYEVD flaked in RHEqs. INFO=53941543>>
 GOING DOWN GOING DOWN GOING DOWN GOING DOWN GOING DOWN
Aborted (core dumped)

real 10m3.886s
user 8m3.608s
sys 0m7.103s
[elias@eliashpi5 test02]$
========================================================

The input and output files are attached.

I tried this calculation on two different computers and the same error appeared for both. It takes about 10 minutes to run.

/ Elias

Anonymous

 

(Note: upload size limit is set to 16384 kB, after insertion of the required escape characters.)

Attach Files:
   
   
Comment:
   

Attached Files
file #21973:  freeon_report.tar.gz added by None (220KiB - application/x-gzip)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -email is unavailable- added by nicolasbock (Updated the item)

    •  

    There are 0 votes so far. Votes easily highlight which items people would like to see resolved in priority, independently of the priority of the item set by tracker managers.

    Only logged-in users can vote.

     

    Follow 3 latest changes.

    Date Changed by Updated Field Previous Value => Replaced by
    2010-12-02 nicolasbock StatusNone Confirmed
    2010-12-02 nicolasbock Assigned toNone nicolasbock
    2010-11-10 None Attached File- Added freeon_report.tar.gz, #21973

    Back to the top

    Copyright © 2024 Free Software Foundation, Inc.
    Verbatim copying and distribution of this entire article is permitted in any medium, provided this notice is preserved.
    The Levitating, Meditating, Flute-playing Gnu logo is a GNU GPL'ed image provided by the Nevrax Design Team.
    Page source code

    Powered by Savane 3.13-081f.
    Corresponding source code