job exit

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

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hlshi
Posts: 8
Joined: Sat Jul 02, 2011 10:56 am
Location: IHPC, a*star,singapore

job exit

Post by hlshi » Thu Nov 03, 2011 5:40 am

Dear All:

I perform the BSE calculation, the job always exit now and error information is
"
forrtl: Resource temporarily unavailable
forrtl: severe (30): open failure, unit 13, file /home/hlshi/work/150GPa/zz_bse5/./l_optics_bse_em1s_bss
Image PC Routine Line Source
yambo 000000000063EC9D Unknown Unknown Unknown
yambo 000000000063D7A5 Unknown Unknown Unknown
yambo 00000000005F3D39 Unknown Unknown Unknown
yambo 00000000005BA61F Unknown Unknown Unknown
yambo 00000000005B9E52 Unknown Unknown Unknown
yambo 00000000005C91ED Unknown Unknown Unknown
yambo 000000000052313C Unknown Unknown Unknown
yambo 0000000000522DDF Unknown Unknown Unknown
yambo 0000000000520B7C Unknown Unknown Unknown
yambo 000000000041E525 Unknown Unknown Unknown
yambo 000000000041AB5F Unknown Unknown Unknown
yambo 000000000041A4B9 Unknown Unknown Unknown
yambo 0000000000418B16 Unknown Unknown Unknown
libc.so.6 00002B30CBC47994 Unknown Unknown Unknown
yambo 0000000000417D59 Unknown Unknown Unknown
--------------------------------------------------------------------------
mpiexec has exited due to process rank 2 with PID 28055 on
node 0281 exiting without calling "finalize". This may
have caused other processes in the application to be
terminated by signals sent by mpiexec (as reported here).
--------------------------------------------------------------------------
"

I also complied yambo in another supercomputer, the job also exit, the error info is
"
forrtl: severe (39): error during read, unit 41, file /home/pa_160/bse/./SAVE//db.em1s
Image PC Routine Line Source
yambo 0000000000618C31 Unknown Unknown Unknown
yambo 0000000000617C05 Unknown Unknown Unknown
yambo 00000000005DC20A Unknown Unknown Unknown
yambo 00000000005A4342 Unknown Unknown Unknown
yambo 00000000005A3B71 Unknown Unknown Unknown
yambo 00000000005BAEC1 Unknown Unknown Unknown
yambo 00000000004D1F10 Unknown Unknown Unknown
yambo 00000000004C0978 Unknown Unknown Unknown
yambo 000000000040DCF9 Unknown Unknown Unknown
yambo 0000000000406908 Unknown Unknown Unknown
yambo 000000000040624D Unknown Unknown Unknown
yambo 0000000000404E29 Unknown Unknown Unknown
libc.so.6 000000366CE1D974 Unknown Unknown Unknown
yambo 0000000000403E69 Unknown Unknown Unknown

"
In a few days ago, in the former supercomputer, the similar BSE calculation can be performed successfully.
I don not know why, anyone can help, thanks very much. Another questuon is the BSE RESTART doen not work.

The yambo.in is
# ____ ____ _ ____ ____ ______ ___
# |_ _||_ _| / \ |_ \ / _||_ _ \ ." `.
# \ \ / / / _ \ | \/ | | |_) | / .-. \
# \ \/ / / ___ \ | |\ /| | | __". | | | |
# _| |_ _/ / \ \_ _| |_\/_| |_ _| |__) |\ `-" /
# |______||____| |____||_____||_____||_______/ `.___."
#
# GPL Version 3.2.4 Revision 855
# http://www.yambo-code.org
#
em1s # [R Xs] Static Inverse Dielectric Matrix
optics # [R OPT] Optics
bse # [R BSK] Bethe Salpeter Equation.
bss # [R BSS] Bethe Salpeter Equation solver
BSresKmod= "xc" # [BSK] Resonant Kernel mode. (`x`;`c`;`d`)
BScplKmod= "none" # [BSK] Coupling Kernel mode. (`x`;`c`;`d`;`u`)
%KfnQP_E
2.55107 |1.00|1.0|
%
% BSEBands
1 | 90 | # [BSK] Bands range
%
BSENGBlk= 200 RL # [BSK] Screened interaction block size
BSENGexx= 257 RL # [BSK] Exchange components
% QpntsRXs
1 | 172 | # [Xs] Transferred momenta
%
% BndsRnXs
1 | 200 | # [Xs] Polarization function bands
%
NGsBlkXs= 257 RL # [Xs] Response block size
% LongDrXs
1.000000 | 0.000000 | 0.000000 | # [Xs] [cc] Electric Field
%
BSSmod= "h" # [BSS] Solvers `h/d/i/t`
% BEnRange
0.00000 | 20.00000 | eV # [BSS] Energy range
%
% BDmRange
0.01000 | 0.80000 | eV # [BSS] Damping range
%
BEnSteps= 666 # [BSS] Energy steps
% BLongDir
1.000000 | 0.000000 | 0.000000 | # [BSS] [cc] Electric Field
%

Hongliang Shi
IHPC, Singapore

hlshi
Posts: 8
Joined: Sat Jul 02, 2011 10:56 am
Location: IHPC, a*star,singapore

Re: job exit

Post by hlshi » Fri Nov 11, 2011 6:49 am

can anybody help, thanks very much.

Hongliang Shi
IHPC, a*star, Singapore

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myrta gruning
Posts: 240
Joined: Tue Mar 17, 2009 11:38 am
Contact:

Re: job exit

Post by myrta gruning » Mon Nov 14, 2011 10:19 am

Dear Hongliang Shi

the error message you are sending does not say much. It is not yambo related, and there is no indication on where exaclty the calculation ended. We would need to inspect the related l-* and the r-* to try to understand what's going on.
Looking at the input my suspect is that there may be problems due to insufficient memory, disk space, to much I/O since the job looks quite big, but again this can be confirmed from the report and the log where it can be seen exactly how much mem is allocated, how large is the matrix, which operations the program was doing before exiting etc. so please attach the log and report of the calculation.
You also can try to give a look to them and see if e.g. memory is the problem.

m
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009

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