[Wien] lapw2 stops

Oleg Artamonov arto at mail.nnz.ru
Wed Jan 28 21:24:54 CET 2009


Dear Wien users and leaders,

The run_lapw (as well as run_lapw -p) works normal for the 7-layer surface 
of W and stops at the beginning of lapw2 for
the 22-layer surface of Au.

We use (48 node *4 core) cluster with 2*Intel Xeon 5335, OS = Linux SLES 10 
SP1,
for parallelization - mvapich-1/0/0-1844, infinityband.
The siteconfig options are:
1) For MPI ( mvapich ) parallelization:

RP_LIB(SCALAPACK+PBLAS): -lmkl_intel_lp64 -lmkl_scalapack_lp64
-lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t

FPOPT(par.comp.options): $(FOPT) -lmkl_intel_lp64 -lmkl_scalapack_lp64
-lmkl_blacs_lp64 -lmkl_sequential -lmkl_core -liomp5 -pthread -i-static

MPIRUN commando        : /share/mvapich-1.0.1-intel/bin/mpirun_rsh

2) For serial work:
Compiler options:        -FR -mp1 -prec_div -r8 -pc80 -fpconstant -traceback
-pad -align -O3 -ipo1 -DINTEL_VML -i-static -fminshared -xT -thread
-DINTEL_VML

Linker Flags:            -L/opt/intel/mkl/10.0.3.020/lib/em64t

Preprocessor flags       '-DParallel'

R_LIB (LAPACK+BLAS):     $(FPOPT) -lmkl_intel_lp64 -lmkl_scalapack_lp64
-lmkl_blacs_lp64 -lmkl_sequential -lmkl_core -liomp5 -pthread -i-static

Thanks in advance for any suggestions,
                                                                        Oleg 
Artamonov/





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