[Wien] Error in Hub-U calculation

[shaymlal dayananda]

     On Tuesday, August 7, 2018 12:41 PM, shaymlal dayananda <kcsdayananda at yahoo.com> wrote:
 

 Dear Developers and users
I am in a trouble that I could not recover my problem yet.
I tried  all of your suggestions. I am summarizing them below.
1. I finished runsp_lapw  -NI -p -ec 0.0001 correctly and saved the files. 
2. I added case.indmc and case.inorb files ( I have copied them one of previous emails)3. submitted the job  runsp_lapw  -NI -p -dm -orb -ec 0.0001 
4. This job stopped with the same previous errors. Anyway I am coping them again along with case.vorbdef

STDOUT
cp: cannot create regular file '/localscratch//.tmp_lapw1para.30532': Permission denied
cp: cannot stat '/localscratch//.tmp_lapw1para.30532': No such file or directory
/localscratch//.tmp_testpara_new.30532_2: Permission denied.
grep: /localscratch//.tmp_lapw1para.30532: No such file or directory
cut: /localscratch//.tmp_testpara_new.30532_2: No such file or directory
forrtl: severe (24): end-of-file during read, unit 7, file /scratch/WIEN2k17/TEST/T-hubU/T-hubU.vorbup
Image              PC                Routine            Line        Source             
lapw1c             0000000000461858  Unknown               Unknown  Unknown
lapw1c             0000000000497DDA  Unknown               Unknown  Unknown
lapw1c             000000000042C543  inilpw_                   276  inilpw.f
lapw1c             000000000042F302  MAIN__                     42  lapw1_tmp_.F
lapw1c             0000000000403FEE  Unknown               Unknown  Unknown
libc.so.6          00002AD5081B12E0  Unknown               Unknown  Unknown
lapw1c             0000000000403EEA  Unknown               Unknown  Unknown


 5. next I tried:  energyup/dn copied to energyup_1/dn_1, all dmat* removed and then tried runsp_lapw  -NI -p -dm -orb -ec 0.0001   But it gave me the same error. I has changed the energyup_1/dn_1 (empty now)
6. I tried running x lapw1 with deleting dmat* as William as sugested, but this also leads for the same error as I have given in 5. above.


I am very much appreciate if anyone give the correct way to do hubbard U included PARALLEL calculation with Wien2k 17.1.

I have asked our supercomputers to install the latest version. But due to internal issue this will be late more than two months more. I cannot wait that long.
Thank you
Daya


   

 On Tuesday, June 26, 2018 2:52 PM, William Lafargue-dit-Hauret <william.lafargue-dit-hauret at univ-rennes1.fr> wrote:
 

  Did you try to add "-s lapw1" in your command line dedicated to the DFT+U calculation ? Remove any *dmat* files before. W.
  
 Le 26/06/2018 à 22:46, shaymlal dayananda a écrit :
  
  Dear William 
  It is a error (messed up with another case.dayfile ) in the mail when I copy the day file to the mail, other than that , the problem and the errors are the same. 
  Thank you Daya
   
  
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