[Wien] Segmentation fault in LAPW1

[Gerhard Fecher]

Did you try
EXPORT OMP_NUM_THREADS = 2 (or 4)
with the test cases.
(or at least before starting w2web)

In my case it sems to work with a freshly installed Suse 10.3 64-bit, but not with older Versions.
my MKL was 10.0.2
did you try 10.0.3 ? I had not yet time to test it.

I still have some problems with different optimization levels,
however  most important the standart switches of siteconfig work.

Thanks
Gerhard


________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Dimitris Kechrakos [dkehrakos at ims.demokritos.gr]
Gesendet: Freitag, 23. Mai 2008 10:14
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Segmentation fault in LAPW1

Thanks !
Installed openSuse 10.3(64bit) on Intel Core(TM)2 Quad Q6600
and  ifort(10.1) + mkl(10.0) (following Gerhard's Notes)
=> wien2k_8.2 works fine with default options !

Dimitris


Lyudmila Dobysheva wrote:

On Tuesday 13 May 2008 18:03 Dimitris Kechrakos:


I have installed Wien2K_8.2 on an Intel(R) Core(TM)2 Quad  Q6600 @ 2.40GHz,
4GB RAM using
ifort 10.1.012, mkl 10.0.1.0.14) and options :
 O   Compiler options:        -FR -w -O3 -traceback
 L   Linker Flags:            -L/opt/intel/fc/10.1.012/lib -lguide
 R   R_LIB (LAPACK+BLAS):     -L/opt/intel/mkl/10.0.1.014/lib/32
                              -I/opt/intel/mkl/10.0.1.014/include
-lmkl_lapack -lmkl_ia32 -lmkl_core -lm
No error message appeared during compilation and linking. (Checked all
I tried the example TiC , but I get the following message:
 LAPW0 END
forrtl: severe (174): SIGSEGV, segmentation fault occurred



For the Intel(R) Core(TM)2 Quad CPU    Q6600  @ 2.40GHz
with ifort 10.1.015, mkl 10.0.1.0.14
operating system Debian (generic), architecture x86_64
Kernel 2.6.24-16-generic
glibc /lib/libc-2.7.so  <--- Intel recommends here 2.3-2.6.x
I compiled lapw1 with:
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML  -O3 -xW -threads
LDFLAGS = $(FOPT) -L/opt/intel/mkl/10.0.1.014/lib/em64t -lpthread
R_LIBS = -lmkl_lapack64 -lmkl_em64t -lguide -lvml -pthread

Lapw2 with
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML  -O1 -xW -threads

I had to add "limit stacksize unlimited":
when I put the command in command line "x lapw2 -up" it worked, but if I did
it with "at" it stopped.
Maybe some large  value (999999) should be given instead of unlimited. So, in
the batch file I have:
#!/bin/csh -f
setenv LD_LIBRARY_PATH /opt/intel/fce/10.1.015/lib/
limit stacksize unlimited
runsp_lapw ...

And it was necessary for me to put
export OMP_NUM_THREADS=1
in bashrc.

Best wishes
Lyudmila Dobysheva
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