[Wien] error in WIEN2k 11 installation

[Gavin Abo]

My system is different, but I'm able to reproduce a bus error with your 
R_LIBS settings and the previous settings I provided.  I can resolve the 
error on my system by using the LP64 (32-bit integer) interface layer 
instead of ILP64 (64-bit integer).

Adjust your R_LIBS settings for LP64 or my attached OPTIONS file 
settings will likely also work for your system.

A method to use the OPTIONS file is:

1. Backup your file: mv $WIENROOT/OPTIONS $WIENROOT/OPTIONSold
2. Copy the attached OPTIONS file to $WIENROOT
3. Run ./siteconfig
4. Load the OPTIONS file, select compiler options (O) and save (S)
5. From the main menu, recompile (R, then A for all)
6. Run the TiC example and confirm that the bus error is gone

On 4/28/2012 8:29 AM, Jameson Maibam wrote:
> Dear
> *
> *
> WIEN2k developers and users
> I have a problem in installing the latest wien2k in UBUNTU 11.10 64 
> bit OS. My computer specification is dell inspiron laptop having intel 
> centrino duo processor, 3 GB RAM and clock speed 2GHz. I have 
> successfully installed the composer xe 2011 and edit my bash as 
> follows as per instructions by the intel software forum:
> $ source /opt/intel/bin/compilervars.sh intel64
> *$ export MKL_TARGET_ARCH MKL_LP64_ILP64 MKL_VERBOSE MKL_MOD*
> **//
> *
> I kept the compiler option default and change the real library option as
> -L$(MKLROOT)/lib/intel64 $(MKLROOT)/lib/intel64/libmkl_blas95_ilp64.a 
> $(MKLROOT)/lib/intel64/libmkl_lapack95_ilp64.a -lmkl_intel_ilp64 
> -lmkl_intel_thread -lmkl_core -openmp -lpthread -lm
> When I tried to run TiC I got the following error message
> on james-pc with PID 2770
> using WIEN2k_11.1 (Release 14/6/2011) in /home/james/WIEN2k
> start (Fri Apr 27 22:09:03 IST 2012) with lapw0 (40/99 to go)
> cycle 1 (Fri Apr 27 22:09:03 IST 2012) (40/99 to go)
> > lapw0 (22:09:03) 3.816u 0.080s 0:04.42 88.0% 0+0k 18776+424io 49pf+0w
> > lapw1 (22:09:07) Bus error
> 0.360u 0.016s 0:00.49 75.5% 0+0k 4592+256io 16pf+0w
> error: command /home/james/WIEN2k/lapw1 lapw1.def failed
> > stop error
> What might be the cause of this error.
> Please help
> Jameson Maibam
> Assam University, Silchar
> *
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

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current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -DINTEL_VML -traceback -O1 -xHost
current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -DINTEL_VML -traceback -O1 -xHost
current:LDFLAGS:$(FOPT) -I$(MKLROOT)/include/intel64/lp64 -I$(MKLROOT)/include
current:DPARALLEL:'-DParallel'
current:R_LIBS:$(MKLROOT)/lib/intel64/libmkl_blas95_lp64.a $(MKLROOT)/lib/intel64/libmkl_lapack95_lp64.a -Wl,--start-group $(MKLROOT)/lib/intel64/libmkl_intel_lp64.a $(MKLROOT)/lib/intel64/libmkl_intel_thread.a $(MKLROOT)/lib/intel64/libmkl_core.a -Wl,--end-group -openmp -lpthread -lm
current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 -L/opt/local/fftw/lib/ -lfftw_mpi -lfftw $(R_LIBS)
current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_