Thank you very much for the reply.

I tried "cat *.error " and got Error in MIXER.

I had already checked by recompiling it as I found the same information
give by you in mail archive. But that did not work. Here I have mentioned
the path through which I have compiled my w2k code.

current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
-assume buffered_io
current:FFTW_LIBS:-lfftw3_mpi -lfftw3
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
current:R_LIBS:-mkl -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lmkl_lapack95_lp64
-lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core
-I/opt/intel/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a -lpthread
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 $(R_LIBS)
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_

It is not about the system that I have mentioned. Same problem I am facing
with other system also .
I accept all the necessary changes while running init_lapw instead of
ignoring them.
As I was facing the error frequently on a new system, then I went back to a
system where the calculations were successfully done before, but there also
I am facing the same error. This is very strange to me.

Kind Regards

On Thu, Sep 22, 2016 at 6:37 PM, Laurence Marks <>

> Unfortunately it is not possible to work this out using what you sent.
> Please do
> 1) cat *.error
> If any of the files except mixer.error contain information, that means
> that the error occurred there. You will have to analyze what went wrong.
> 2) Recompile mixer with -traceback (for ifort) added. I recommend that you
> always use it. Then retry.
> N.B. I noticed that for BTFO you used -ec 0.0000001 -cc 0.00001. This
> level of convergence is not meaningful. In addition, you are using a low
> symmetry structure. Did you accept all the changes during init_lapw or
> ignore them? If you ignored them then you struct file may be wrong.
> ---
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> Corrosion in 4D
> Partner of the CFW 100% gender equity project,
> Co-Editor, Acta Cryst A
> On Sep 22, 2016 07:50, "Paresh Chandra Rout" <>
> wrote:
>> Dear w2k users and developers,
>> I am facing an error as follows
>> error: command   WIEN2k_14.2_TGZ/mixer mixer.def   failed
>> >   stop error
>> I did not encounter this error before. All my calculation was running fine
>> with this version of wien2k . I tried to run single point calculation on
>> three
>> different system, but in all cases I am getting the same error as above
>> just after the scf cycle-3. I have attached my  case.dayfile for different
>> system. Any help to resolve this issue would be highly appreciated .
>> Kind Regards,
>> Paresh Chandra Rout
>> Research Scholar
>> Indian institute of Science Education and Research Bhopal
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