[Wien] error message in mini.error file

celhin celhin at MIT.EDU
Tue Aug 3 15:47:09 CEST 2010


Dear Wien2k users,

Sorry to bother you. I have a question concerning mini positions.

My output file are:

echo ''|min     -j 'run_lapw -I -i 40 -fc 1.0 -p  '
/.command.420800.2332

------------------------------------------------------------

Successfully completed.

Resource usage summary:

    CPU time   :   5486.08 sec.
    Max Memory :       672 MB
    Max Swap   :      1655 MB

    Max Processes  :        28

The output (if any) follows:

nodes for this job: compute-1-7.local compute-1-4.local compute-1-4.local
compute-1-4.local compute-1-2.local compute-1-5.local compute-1-9.local
compute-1-9.local
number of processors: 8
Mon Aug  2 08:20:18 EDT 2010
11.780u 0.011s 0:12.09 97.5%	0+0k 0+0io 1pf+0w

ec cc and fc_conv 1 1 0
in cycle 2    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 3    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 4    ETEST: .3045293600000000   CTEST: .1446911
ec cc and fc_conv 1 1 0
in cycle 5    ETEST: .1536115000000000   CTEST: .1325258
ec cc and fc_conv 1 1 0
in cycle 6    ETEST: .0932270100000000   CTEST: .0422886
ec cc and fc_conv 1 1 0
in cycle 7    ETEST: .0447324400000000   CTEST: .0317038
ec cc and fc_conv 1 1 0
in cycle 8    ETEST: .0066889700000000   CTEST: .0085831
ec cc and fc_conv 1 1 0
in cycle 9    ETEST: .0031966100000000   CTEST: .0036330
ec cc and fc_conv 1 1 0
in cycle 10    ETEST: .0003055700000000   CTEST: .0015435
ec cc and fc_conv 1 1 0
in cycle 11    ETEST: .0000361750000000   CTEST: .0006042
ec cc and fc_conv 1 1 0
in cycle 12    ETEST: .0000088300000000   CTEST: .0002641
ec cc and fc_conv 1 1 0
in cycle 13    ETEST: .0000588250000000   CTEST: .0001518
ec cc and fc_conv 1 1 1

>   stop
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct files
saved under PbTeSiMC2_1
11.912u 0.016s 0:12.27 97.1%	0+0k 0+0io 1pf+0w
0.724u 0.011s 0:00.94 77.6%	0+0k 0+0io 1pf+0w
clmextrapol_lapw has generated a new PbTeSiMC2.clmsum
ec cc and fc_conv 1 1 0
in cycle 2    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 3    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 4    ETEST: .0005872700000000   CTEST: .0059680
ec cc and fc_conv 1 1 0
in cycle 5    ETEST: .0001795250000000   CTEST: .0048966
ec cc and fc_conv 1 1 0
in cycle 6    ETEST: .0002337750000000   CTEST: .0049584
ec cc and fc_conv 1 1 0
in cycle 7    ETEST: .0002048200000000   CTEST: .0026920
ec cc and fc_conv 1 1 0
in cycle 8    ETEST: .0001160950000000   CTEST: .0004421
ec cc and fc_conv 1 1 0
in cycle 9    ETEST: .0000893900000000   CTEST: .0003214
ec cc and fc_conv 1 1 0
in cycle 10    ETEST: .0000057500000000   CTEST: .0001046
ec cc and fc_conv 1 1 0
in cycle 11    ETEST: .0000005000000000   CTEST: .0000388
ec cc and fc_conv 1 1 1

>   stop
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct files
saved under PbTeSiMC2_2
11.793u 0.012s 0:12.07 97.7%	0+0k 0+0io 0pf+0w
0.429u 0.004s 0:00.62 67.7%	0+0k 0+0io 0pf+0w
clmextrapol_lapw has generated a new PbTeSiMC2.clmsum
ec cc and fc_conv 1 1 0
in cycle 2    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 3    ETEST: 0   CTEST: 0
ec cc and fc_conv 1 1 0
in cycle 4    ETEST: .0020127050000000   CTEST: .0147920
ec cc and fc_conv 1 1 0
in cycle 5    ETEST: .0013640150000000   CTEST: .0129339
ec cc and fc_conv 1 1 0
in cycle 6    ETEST: .0015892450000000   CTEST: .0155605
ec cc and fc_conv 1 1 0
in cycle 7    ETEST: .0008462950000000   CTEST: .0082914
ec cc and fc_conv 1 1 0
in cycle 8    ETEST: .0003790000000000   CTEST: .0013368
ec cc and fc_conv 1 1 0
in cycle 9    ETEST: .0001054350000000   CTEST: .0006872
ec cc and fc_conv 1 1 0
in cycle 10    ETEST: .0000126600000000   CTEST: .0002803
ec cc and fc_conv 1 1 0
in cycle 11    ETEST: .0000051150000000   CTEST: .0001000
ec cc and fc_conv 1 1 0
in cycle 12    ETEST: .0000015050000000   CTEST: .0000436
ec cc and fc_conv 1 1 1

STOP >>  (mini) PORT stopped -> exit

In the file mini.error, I have the following message:
STOP in MINI, FORCES small

Does it mean that my calculation is finished? I have a doubt because of the
message in the file mini.error. However, I do not have any other message error.

Best,
Céline.


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