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_OPT:-DFFTW3 -I/opt/apps/FFTW/fftw-3.3.3-intel-double-mpi/include current:FFTW_LIBS:-lfftw3_mpi -lfftw3 -L/opt/apps/FFTW/fftw-3.3.3-intel-double-mpi/lib current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread current:DPARALLEL:'-DParallel' current:R_LIBS:-mkl -L$(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_ current:MKL_TARGET_ARCH:intel64 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 Paresh On Thu, Sep 22, 2016 at 6:37 PM, Laurence Marks <[email protected]> wrote: > 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 > http://www.numis.northwestern.edu > Corrosion in 4D http://MURI4D.numis.northwestern.edu > Partner of the CFW 100% gender equity project, www.cfw.org/100-percent > Co-Editor, Acta Cryst A > > > On Sep 22, 2016 07:50, "Paresh Chandra Rout" <[email protected]> > 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 >> >> > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > [email protected]/index.html > >
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