[Wien] problem in executing lapw2

[Lionel Calmels]

Dear Wien2k developers and users,
We have tried to compile Wien2k (version 12.1) on a supercomputer (with 
Intel ifort 12.0.013 +mkl) The compilation didn’t display any errors.
Here are the options we choosed :
current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML –traceback
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 
-traceback
current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread 
-lmkl_core -openmp -lpthread
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 
-L/opt/software/SGI/fftw/3.3a/lib -lfftw3_mpi -lfftw3 $(R_LIBS) -lmpi
current:MPIRUN:mpiexec _EXEC_

When we tried to test a calculation that works well on other computers, 
we got the following error :
severe (41): Insufficient virtual memory
severe(179): Cannot allocate array - overflow on array size calculation
We suppose it happens due to unusually high (iff1,iff2,iff3) and max k 
indices.
Fe3O4.output2up_1: max k indices: 12 12 12
Fe3O4.output2up_2: max k indices: 196607 196607 196607
Fe3O4.output2up_3: max k indices: 12 12 12
Fe3O4.output2up_4: max k indices: 262143 262143 262143
Fe3O4.output2up_5: max k indices: 196608 196608 196608
Fe3O4.output2up_6: max k indices: 196607 196607 196607
Fe3O4.output2up_7: max k indices: 13 13 13
Fe3O4.output2up_8: max k indices: 196608 196608 196608
Fe3O4.output2up_1: n,iff1,iff2,iff3 2085 54 54 54
Fe3O4.output2up_2: n,iff1,iff2,iff3 2095 787320 787320 787320
Fe3O4.output2up_3: n,iff1,iff2,iff3 2097 54 54 54
Fe3O4.output2up_4: n,iff1,iff2,iff3 2085 1049760 1049760 1049760
Fe3O4.output2up_5: n,iff1,iff2,iff3 2126 787320 787320 787320
Fe3O4.output2up_6: n,iff1,iff2,iff3 2108 787320 787320 787320
Fe3O4.output2up_7: n,iff1,iff2,iff3 2102 60 60 60
Fe3O4.output2up_8: n,iff1,iff2,iff3 2114 787320 787320 787320
This only happens when running a k-points parallelization (and not for a 
sequential calculation on 1 core).

If somebody has any suggestions to solve this problem, it would be 
really appreciate.

Best wishes 

Lionel Calmels
CEMES-Toulouse