[Wien] plz help

arqum hashmi arqumhashmi at yahoo.com
Thu Feb 16 14:20:08 CET 2012 

Dear Prof P.Blaha and Users
i again run one more iteration as you said me. i used k-parallel execution. 
but the again same problem occured again
 
running LAPW2 in parallel mode
calculating QTL's from parallel vectors
mv: cannot stat `super-sp.vectorup_1': No such file or directory
mv: cannot stat `super-sp.vectorup_2': No such file or directory
L2main - Error
0.464u 0.044s 0:00.59 84.7% 0+0k 0+1824io 0pf+0w
 
But the problem is this
 
firstly, after scf i have these vector files  
 
hashumi at spin4:~/WIEN2k/Fe2O3-sp/super-sp> ls -alsrt *vec*
     0 -rw-r--r-- 1 hashumi users         0 2010-10-02 19:39 super-sp.vec
888700 -rw-r--r-- 1 hashumi users 909133588 2010-10-10 03:30 super-sp.vectorup
355392 -rw-r--r-- 1 hashumi users 363560875 2010-10-10 04:08 super-sp.vectordn
 50700 -rw-r--r-- 1 hashumi users  51856189 2010-10-10 04:38 super-sp.vectorup_3
 51168 -rw-r--r-- 1 hashumi users  52338337 2010-10-10 04:38 super-sp.vectorup_2
 50304 -rw-r--r-- 1 hashumi users  51451533 2010-10-10 04:38 super-sp.vectorup_6
 50468 -rw-r--r-- 1 hashumi users  51618481 2010-10-10 04:38 super-sp.vectorup_4
 51548 -rw-r--r-- 1 hashumi users  52725825 2010-10-10 04:38 super-sp.vectorup_1
 50136 -rw-r--r-- 1 hashumi users  51278405 2010-10-10 04:39 super-sp.vectorup_14
 50380 -rw-r--r-- 1 hashumi users  51530425 2010-10-10 04:39 super-sp.vectorup_10
 50560 -rw-r--r-- 1 hashumi users  51713165 2010-10-10 04:39 super-sp.vectorup_12
 50220 -rw-r--r-- 1 hashumi users  51365593 2010-10-10 04:39 super-sp.vectorup_15
 50488 -rw-r--r-- 1 hashumi users  51639889 2010-10-10 04:39 super-sp.vectorup_5
 50048 -rw-r--r-- 1 hashumi users  51188773 2010-10-10 04:39 super-sp.vectorup_16
 50492 -rw-r--r-- 1 hashumi users  51643613 2010-10-10 04:39 super-sp.vectorup_9
 50944 -rw-r--r-- 1 hashumi users  52105309 2010-10-10 04:39 super-sp.vectorup_7
 50688 -rw-r--r-- 1 hashumi users  51844201 2010-10-10 04:39 super-sp.vectorup_8
 50388 -rw-r--r-- 1 hashumi users  51538417 2010-10-10 04:39 super-sp.vectorup_13
 50428 -rw-r--r-- 1 hashumi users  51579165 2010-10-10 04:39 super-sp.vectorup_11
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:40 super-sp.vectorup_20
  9988 -rw-r--r-- 1 hashumi users  10207869 2010-10-10 04:40 super-sp.vectorup_18
 10040 -rw-r--r-- 1 hashumi users  10261005 2010-10-10 04:40 super-sp.vectorup_17
 10056 -rw-r--r-- 1 hashumi users  10276925 2010-10-10 04:40 super-sp.vectorup_21
  9984 -rw-r--r-- 1 hashumi users  10203905 2010-10-10 04:40 super-sp.vectorup_19
 10000 -rw-r--r-- 1 hashumi users  10219761 2010-10-10 04:40 super-sp.vectorup_22
 10036 -rw-r--r-- 1 hashumi users  10257025 2010-10-10 04:40 super-sp.vectorup_23
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:40 super-sp.vectorup_24
 51168 -rw-r--r-- 1 hashumi users  52338337 2010-10-10 04:51 super-sp.vectordn_2
 50700 -rw-r--r-- 1 hashumi users  51856189 2010-10-10 04:51 super-sp.vectordn_3
 51548 -rw-r--r-- 1 hashumi users  52725825 2010-10-10 04:51 super-sp.vectordn_1
 50944 -rw-r--r-- 1 hashumi users  52105309 2010-10-10 04:51 super-sp.vectordn_7
 50380 -rw-r--r-- 1 hashumi users  51530425 2010-10-10 04:51 super-sp.vectordn_10
 50468 -rw-r--r-- 1 hashumi users  51618481 2010-10-10 04:51 super-sp.vectordn_4
 50688 -rw-r--r-- 1 hashumi users  51844201 2010-10-10 04:51 super-sp.vectordn_8
 50388 -rw-r--r-- 1 hashumi users  51538417 2010-10-10 04:51 super-sp.vectordn_13
 50492 -rw-r--r-- 1 hashumi users  51643613 2010-10-10 04:51 super-sp.vectordn_9
 50136 -rw-r--r-- 1 hashumi users  51278405 2010-10-10 04:51 super-sp.vectordn_14
 50560 -rw-r--r-- 1 hashumi users  51713165 2010-10-10 04:51 super-sp.vectordn_12
 50428 -rw-r--r-- 1 hashumi users  51579165 2010-10-10 04:51 super-sp.vectordn_11
 50488 -rw-r--r-- 1 hashumi users  51639889 2010-10-10 04:51 super-sp.vectordn_5
 50048 -rw-r--r-- 1 hashumi users  51188773 2010-10-10 04:51 super-sp.vectordn_16
 50220 -rw-r--r-- 1 hashumi users  51365593 2010-10-10 04:51 super-sp.vectordn_15
 50304 -rw-r--r-- 1 hashumi users  51451533 2010-10-10 04:51 super-sp.vectordn_6
 10040 -rw-r--r-- 1 hashumi users  10261005 2010-10-10 04:52 super-sp.vectordn_17
  9988 -rw-r--r-- 1 hashumi users  10207869 2010-10-10 04:52 super-sp.vectordn_18
  9984 -rw-r--r-- 1 hashumi users  10203905 2010-10-10 04:52 super-sp.vectordn_19
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:52 super-sp.vectordn_20
 10056 -rw-r--r-- 1 hashumi users  10276925 2010-10-10 04:52 super-sp.vectordn_21
 10000 -rw-r--r-- 1 hashumi users  10219761 2010-10-10 04:52 super-sp.vectordn_22
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:52 super-sp.vectordn_24
 10036 -rw-r--r-- 1 hashumi users  10257025 2010-10-10 04:52 super-sp.vectordn_23

when i calculate DOS, click on x lapw2 -p -up -qtl,  after this all up files change into old files, and after that i have these files
 
hashumi at spin4:~/WIEN2k/Fe2O3-sp/super-sp> ls -alsrt *vec*
     0 -rw-r--r-- 1 hashumi users         0 2010-10-02 19:39 super-sp.vec
888700 -rw-r--r-- 1 hashumi users 909133588 2010-10-10 03:30 super-sp.vectorup
355392 -rw-r--r-- 1 hashumi users 363560875 2010-10-10 04:08 super-sp.vectordn
 50700 -rw-r--r-- 1 hashumi users  51856189 2010-10-10 04:38 super-sp.vectorup_3.old
 51168 -rw-r--r-- 1 hashumi users  52338337 2010-10-10 04:38 super-sp.vectorup_2.old
 50304 -rw-r--r-- 1 hashumi users  51451533 2010-10-10 04:38 super-sp.vectorup_6.old
 50468 -rw-r--r-- 1 hashumi users  51618481 2010-10-10 04:38 super-sp.vectorup_4.old
 51548 -rw-r--r-- 1 hashumi users  52725825 2010-10-10 04:38 super-sp.vectorup_1.old
 50136 -rw-r--r-- 1 hashumi users  51278405 2010-10-10 04:39 super-sp.vectorup_14.old
 50380 -rw-r--r-- 1 hashumi users  51530425 2010-10-10 04:39 super-sp.vectorup_10.old
 50560 -rw-r--r-- 1 hashumi users  51713165 2010-10-10 04:39 super-sp.vectorup_12.old
 50220 -rw-r--r-- 1 hashumi users  51365593 2010-10-10 04:39 super-sp.vectorup_15.old
 50488 -rw-r--r-- 1 hashumi users  51639889 2010-10-10 04:39 super-sp.vectorup_5.old
 50048 -rw-r--r-- 1 hashumi users  51188773 2010-10-10 04:39 super-sp.vectorup_16.old
 50492 -rw-r--r-- 1 hashumi users  51643613 2010-10-10 04:39 super-sp.vectorup_9.old
 50944 -rw-r--r-- 1 hashumi users  52105309 2010-10-10 04:39 super-sp.vectorup_7.old
 50688 -rw-r--r-- 1 hashumi users  51844201 2010-10-10 04:39 super-sp.vectorup_8.old
 50388 -rw-r--r-- 1 hashumi users  51538417 2010-10-10 04:39 super-sp.vectorup_13.old
 50428 -rw-r--r-- 1 hashumi users  51579165 2010-10-10 04:39 super-sp.vectorup_11.old
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:40 super-sp.vectorup_20.old
  9988 -rw-r--r-- 1 hashumi users  10207869 2010-10-10 04:40 super-sp.vectorup_18.old
 10040 -rw-r--r-- 1 hashumi users  10261005 2010-10-10 04:40 super-sp.vectorup_17.old
 10056 -rw-r--r-- 1 hashumi users  10276925 2010-10-10 04:40 super-sp.vectorup_21.old
  9984 -rw-r--r-- 1 hashumi users  10203905 2010-10-10 04:40 super-sp.vectorup_19.old
 10000 -rw-r--r-- 1 hashumi users  10219761 2010-10-10 04:40 super-sp.vectorup_22.old
 10036 -rw-r--r-- 1 hashumi users  10257025 2010-10-10 04:40 super-sp.vectorup_23.old
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:40 super-sp.vectorup_24.old
 51168 -rw-r--r-- 1 hashumi users  52338337 2010-10-10 04:51 super-sp.vectordn_2
 50700 -rw-r--r-- 1 hashumi users  51856189 2010-10-10 04:51 super-sp.vectordn_3
 51548 -rw-r--r-- 1 hashumi users  52725825 2010-10-10 04:51 super-sp.vectordn_1
 50944 -rw-r--r-- 1 hashumi users  52105309 2010-10-10 04:51 super-sp.vectordn_7
 50380 -rw-r--r-- 1 hashumi users  51530425 2010-10-10 04:51 super-sp.vectordn_10
 50468 -rw-r--r-- 1 hashumi users  51618481 2010-10-10 04:51 super-sp.vectordn_4
 50688 -rw-r--r-- 1 hashumi users  51844201 2010-10-10 04:51 super-sp.vectordn_8
 50388 -rw-r--r-- 1 hashumi users  51538417 2010-10-10 04:51 super-sp.vectordn_13
 50492 -rw-r--r-- 1 hashumi users  51643613 2010-10-10 04:51 super-sp.vectordn_9
 50136 -rw-r--r-- 1 hashumi users  51278405 2010-10-10 04:51 super-sp.vectordn_14
 50560 -rw-r--r-- 1 hashumi users  51713165 2010-10-10 04:51 super-sp.vectordn_12
 50428 -rw-r--r-- 1 hashumi users  51579165 2010-10-10 04:51 super-sp.vectordn_11
 50488 -rw-r--r-- 1 hashumi users  51639889 2010-10-10 04:51 super-sp.vectordn_5
 50048 -rw-r--r-- 1 hashumi users  51188773 2010-10-10 04:51 super-sp.vectordn_16
 50220 -rw-r--r-- 1 hashumi users  51365593 2010-10-10 04:51 super-sp.vectordn_15
 50304 -rw-r--r-- 1 hashumi users  51451533 2010-10-10 04:51 super-sp.vectordn_6
 10040 -rw-r--r-- 1 hashumi users  10261005 2010-10-10 04:52 super-sp.vectordn_17
  9988 -rw-r--r-- 1 hashumi users  10207869 2010-10-10 04:52 super-sp.vectordn_18
  9984 -rw-r--r-- 1 hashumi users  10203905 2010-10-10 04:52 super-sp.vectordn_19
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:52 super-sp.vectordn_20
 10056 -rw-r--r-- 1 hashumi users  10276925 2010-10-10 04:52 super-sp.vectordn_21
 10000 -rw-r--r-- 1 hashumi users  10219761 2010-10-10 04:52 super-sp.vectordn_22
 10024 -rw-r--r-- 1 hashumi users  10245085 2010-10-10 04:52 super-sp.vectordn_24
 10036 -rw-r--r-- 1 hashumi users  10257025 2010-10-10 04:52 super-sp.vectordn_23
     0 -rw-r--r-- 1 hashumi users         0 2010-10-10 06:13 super-sp.vectorsoup
 
Please all give your kind concentration and kindly tell me how can i solve this matter. i will be very grateful to you.
 
Thanks and Regards
Arqum Hashmi


________________________________
From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> 
Sent: Wednesday, February 15, 2012 4:24 AM
Subject: Re: [Wien] plz help

So everything is clear:  You need super-sp.vectorup/dn, but you have 
only super-sp.vectorup_old.

Since the date of your computer shows 2010 ?? I cannot judge if the 
vector_old files are recent or not.
They are created during      run_lapw -it ,
but usually just before the lapw1 step.

Eventually you can use old2vec, but as I said, I've no idea if these 
vector files are ok.

Otherwise run one more iteration.....

> The super-sp.vec, super-sp.vectorup, super-sp.vectordn files are zero
> but the super-sp.vectorup_2.old, super-sp.vectorup_1.old,
> super-sp.vectordn_2.old, super-sp.vectordn_1.old are present and non-zero.
>
> the out put of ls -alsrt *vec* is
>
> 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 19:39 super-sp.vec
> 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 21:15 super-sp.vectorup
> 0 -rw-r--r-- 1 hashumi users 0 2010-10-02 21:19 super-sp.vectordn
> 442356 -rw-r--r-- 1 hashumi users 452522104 2010-10-05 12:53
> super-sp.vectorup_2.old
> 446596 -rw-r--r-- 1 hashumi users 456859756 2010-10-05 12:53
> super-sp.vectorup_1.old
> 442356 -rw-r--r-- 1 hashumi users 452522104 2010-10-05 13:41
> super-sp.vectordn_2.old
> 446596 -rw-r--r-- 1 hashumi users 456859756 2010-10-05 13:41
> super-sp.vectordn_1.old
>
> Kindly tell me what can i do to solve this problem.
>
> i will be very grateful to you.
>
> Thanks and Regrads
> Arqum Hashmi
>
> ------------------------------------------------------------------------
> *From:* Peter Blaha <pblaha at theochem.tuwien.ac.at>
> *To:* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Sent:* Tuesday, February 14, 2012 4:17 AM
> *Subject:* Re: [Wien] plz help
>
> cat uplapw2.def
>
> Is there a $SCRATCH defined ?
>
> ls -alsrt *vec* are the vector files: new, non-zero,... ?
>
> Am 14.02.2012 12:53, schrieb arqum hashmi:
>  > Dear Users
>  > i am calculating the AFM Fe2O3. i run spin polarized and parallel
>  > calculation. after Scf caclulation.
>  > when i calculate DOS, click on *x lapw2 -p -up -qtl
>  > *
>  > *i t gives this error*
>  >
>  > running LAPW2 in parallel mode
>  > calculating QTL's from parallel vectors
>  > mv: cannot stat `super-sp.vectorup_1': No such file or directory
>  > mv: cannot stat `super-sp.vectorup_2': No such file or directory
>  > L2main - Error
>  > 0.436u 0.048s 0:00.54 87.0% 0+0k 0+1864io 0pf+0w
>  >
>  > what is this error although these two files are present there.when i
>  > see error file /home/hashumi/WIEN2k/Fe2O3-sp/super-sp/uplapw2.error
>  > it gives this
>  >
>  > Error in LAPW2
>  > 'l2main' - error reading parallel vectors
>  >
>  >
>  > Please guide me why this error occured and how can i solve it.
>  >
>  > i will be very grateful to you.
>  >
>  > Thanks and Regards
>  > Arqum Hashmi
>  >
>  >
>  >
>  >
>  > _______________________________________________
>  > Wien mailing list
>  > Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
>  > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at <mailto:Wien at zeus.theochem.tuwien.ac.at>
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120216/078abeb2/attachment.htm>

More information about the Wien mailing list