[Wien] error in lapw2 - parallel

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Mar 22 08:50:01 CET 2013


Now you have an "error message" !!

What is about   ls-als *error and their contant ?

cat *.scf1      are there eigenvalues printed ???

cat *.in2       how does this file look like ?

On 03/22/2013 08:43 AM, Mathrubutham Rajagopalan wrote:
> Dear Dr Peter
>
> This is the error message
>
> raja at ubuntu://home/raja/work/Cu$ x lapw2 -p
> running LAPW2 in parallel mode
> FERMI - Error
> cp: cannot stat `.in.tmp': No such file or directory
> **  LAPW2 crashed!
> 0.0u 0.0s 0:00.10 40.0% 0+0k 0+184io 0pf+0w
> error: command   /home/raja/wien2k/lapw2para lapw2.def   failed
> raja at ubuntu://home/raja/work/Cu$
> Raja
>
> On Fri, Mar 22, 2013 at 1:10 PM, Peter Blaha
> <pblaha at theochem.tuwien.ac.at <mailto:pblaha at theochem.tuwien.ac.at>> wrote:
>
>     You do not even have   lapw2*.error  files (which should exist and
>     be empty).
>
>     What happens if you run:    x lapw2 -p    in a terminal ??
>
>
>     On 03/22/2013 08:35 AM, Mathrubutham Rajagopalan wrote:
>
>         Dear Dr Peter,
>
>         Thanks for the response
>
>         The error does not occur in sequential run
>
>         we have 8 processor But I used only four
>
>         I opened the following files All are empty
>
>            dstart.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw0.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_1.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_2.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_3.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_4.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_5.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_6.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1_7.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:59 lapw1.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 lcore.error
>         8 -rw-rw-r-- 1 raja raja 0 Mar 24 11:55 mixer.error
>
>         With out parallel the job runs without  any error
>
>         Just now I tried to run Co2FeSi
>         Again I got the same error
>
>         Regards
>         Raja
>
>         On Fri, Mar 22, 2013 at 12:45 PM, Peter Blaha
>         <pblaha at theochem.tuwien.ac.at
>         <mailto:pblaha at theochem.tuwien.ac.at>
>         <mailto:pblaha at theochem.__tuwien.ac.at
>         <mailto:pblaha at theochem.tuwien.ac.at>>> wrote:
>
>              My guess:
>
>              Since this is such a short test calculation for a parallel
>         run, the NFS
>              might not have written all necessary files ??
>
>              Does the error occur in a sequential run ?
>
>              or if you use only   2 parallel jobs ??
>
>              ls -als *error        which error files are not empty ??
>
>              cat *.error   (without space !)
>
>
>              On 03/22/2013 07:49 AM, Gavin Abo wrote:
>
>                  First, you entered the command incorrectly.  There
>         should be no
>                  space
>                  between the '*' and '.error'.  However, your lapw2
>         error files still
>                  seem to be empty.
>
>                  Second, did you compile Wien2k with -traceback in the
>         Compiler
>                  options
>                  line?  If not, you need to add it, recompile, and run
>         the scf
>                  again to
>                  try to get more information on why lapw2 crashed.
>
>                  On 3/22/2013 12:35 AM, Mathrubutham Rajagopalan wrote:
>
>                      Dear Dr Gavin
>
>                      raja at ubuntu://home/raja/work/____Cu$ cat lapw2* .error
>
>                        2,'Cu.nsh',    'unknown','formatted',0
>                        3,'Cu.in1',   'unknown','formatted',0
>                        4,'Cu.inso',           'unknown','formatted',0
>                        5,'Cu.in2',   'old',    'formatted',0
>                        6,'Cu.output2','unknown','____formatted',0
>                        7,'Cu.vorb','unknown','____formatted',0
>                        8,'Cu.clmval','unknown','____formatted',0
>
>                      10,'./Cu.vector', 'unknown','unformatted',9000
>                      11,'Cu.weight',    'unknown','formatted',0
>                      13,'Cu.recprlist',      'unknown','unformatted',9000
>                      14,'Cu.kgen',        'unknown','formatted',0
>                      15,'Cu.tmp',       'unknown','unformatted',0
>                      16,'Cu.qtl',       'unknown','formatted',0
>                      17,'Cu.weightaver','unknown','____formatted',0
>
>                      18,'Cu.vsp',       'old',    'formatted',0
>                      19,'Cu.vns',       'unknown','formatted',0
>                      20,'Cu.struct',         'old',    'formatted',0
>                      21,'Cu.scf2','unknown','____formatted',0
>
>                      22,'Cu.rotlm',   'unknown',    'formatted',0
>                      23,'Cu.radwf',   'unknown',    'formatted',0
>                      26,'Cu.weigh',   'unknown','unformatted',0
>                      27,'Cu.weighdn',   'unknown','unformatted',0
>                      29,'Cu.energydn','unknown','____formatted',0
>
>                      30,'Cu.energy', 'unknown','formatted',0
>                      32,'Cu.qdmft',   'unknown',    'formatted',0
>                      34,'Cu.oubwin',   'unknown',    'formatted',0
>                      231,'Cu.dmftsym',   'unknown',    'formatted',0
>                      cat: .error: No such file or directory
>                      raja at ubuntu://home/raja/work/____Cu$
>
>
>                      This is the error
>
>                      Raja
>
>                      On Fri, Mar 22, 2013 at 11:56 AM, Gavin Abo
>                      <gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>
>         <mailto:gsabo at crimson.ua.edu <mailto:gsabo at crimson.ua.edu>>
>                      <mailto:gsabo at crimson.ua.edu
>         <mailto:gsabo at crimson.ua.edu> <mailto:gsabo at crimson.ua.edu
>         <mailto:gsabo at crimson.ua.edu>>>__>
>
>                      wrote:
>
>                           What is the error in lapw2?
>
>                           The following command in a terminal while in
>         the case
>                      directory
>                           might give you more information on the cause
>         of the error:
>
>                           cat lapw2*.error
>
>
>                           On 3/22/2013 12:03 AM, Mathrubutham
>         Rajagopalan wrote:
>
>                               Dear developers and users,
>
>                               Greetings!
>                               Recently we installed recent Wien2k
>         version with
>                          ubuntu OS in Dell server
>                               It is running without any problem.
>
>                               We have done the k-point
>         parallelization.But it
>                          gives the following error in lapw2.
>                               we will be thankful to you if you can
>         suggest how
>                          to overcome this
>
>                               regards
>                               raja
>
>
>                               start       (Mon Mar 24 11:23:08 IST 2003)
>         with
>                          lapw0 (40/99 to go)
>
>                                    cycle 1        (Mon Mar 24 11:23:08
>         IST 2003)
>                            (40/99 to go)
>
>                               >   lapw0 -p        (11:23:08) starting
>         parallel
>                          lapw0 at Mon Mar 24 11:23:08 IST 2003
>                               -------- .machine0 : processors
>                               running lapw0 in single mode
>                               1.5u 0.1s 0:01.73 97.6% 0+0k 0+464io 0pf+0w
>                               >   lapw1  -p   -c  (11:23:10) starting
>         parallel
>                          lapw1 at Mon Mar 24 11:23:10 IST 2003
>                               ->  starting parallel LAPW1 jobs at Mon Mar 24
>                          11:23:10 IST 2003
>                               running LAPW1 in parallel mode (using
>         .machines)
>                               4 number_of_parallel_jobs
>                                     ubuntu(11)      ubuntu(11)
>           ubuntu(11)
>                              ubuntu(11)      ubuntu(1)      ubuntu(1)
>                            ubuntu(1)    Summary of lapw1para:
>                                   ubuntu   k=11    user=0  wallclock=11
>                               0.0u 0.0s 0:02.29 5.2% 0+0k 0+2040io 0pf+0w
>                               >   lapw2 -p   -c   (11:23:12) running
>         LAPW2 in
>                          parallel mode
>                               **  LAPW2 crashed!
>                               0.0u 0.0s 0:00.11 45.4% 0+0k 0+184io 0pf+0w
>                               error: command
>         /home/raja/wien2k/lapw2cpara -c
>                          lapw2.def   failed
>
>                               >   stop error
>
>                               --
>                               */
>
>                               Dr M.Rajagopalan
>                               Emeritus Scientist (CSIR)
>                               Crystal Growth Center                20
>         6th Main Road
>                               Anna University Chromepet
>                               Chennai 600 025 Chennai 600 044
>                               Phone #  22213023 (R)
>                                        22359208 (O)
>                               Mobile  9445125709
>
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>                                                     P.Blaha
>
>         ------------------------------____----------------------------__--__--------------
>
>              Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060
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>         Dr M.Rajagopalan
>         Emeritus Scientist (CSIR)
>         Crystal Growth Center                20 6th Main Road
>         Anna University                          Chromepet
>         Chennai 600 025                         Chennai 600 044
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>                                            P.Blaha
>     ------------------------------__------------------------------__--------------
>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>     Phone: +43-1-58801-165300 <tel:%2B43-1-58801-165300>
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> Dr M.Rajagopalan
> Emeritus Scientist (CSIR)
> Crystal Growth Center                20 6th Main Road
> Anna University                          Chromepet
> Chennai 600 025                         Chennai 600 044
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