[Wien] parallel instalation of Wien2k: elpa, fftw

[Ramazan KATIRCI]

Dear Wien2k users

I installed the latest version of wien2k (21.1). I tested the installation using TiC crystal structure. Init_lapw -b command was completed without any problem. But, when I run "run_lapw" command, I am gettin error of "NEC01 charge leakage too large". I do not know the reason of this. The installation was completed without problem. Also when I run the wien2k of 19.2 version with the same file, the job was completed without problem. Is there any problem with the installation or another problem. I checked the compile msgs. It does not seem any problem. I presented the results of "run_lapw" command using wien2k21.1 and wien2k19.2 below

with wien2k 21.1;
-bash-4.2$ run_lapw
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
ERROR: NEC01 charge leakage too large



with wien2k 19.2;
-bash-4.2$ /truba/home/rkatirci/wien2k/run_lapw
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 2    ETEST: 0   CTEST: 0
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 3    ETEST: 0   CTEST: 0
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 4    ETEST: .0585671950000000   CTEST: .7045371
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 5    ETEST: .0555273600000000   CTEST: .5628006
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 6    ETEST: .0649629800000000   CTEST: .2829121
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 7    ETEST: .0317427850000000   CTEST: .1530897
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 8    ETEST: .0073940250000000   CTEST: .0211076
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 0 1 1
in cycle 9    ETEST: .0016879900000000   CTEST: .0133950
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
 MIXER END
ec cc and fc_conv 1 1 1

>   stop
-bash-4.2$

Sincerely
Ramazan Katirci