Dear Wien2k users and developers,<div><br></div><div> I would like to report the same problem sent to the list by Dr. Eitel Peltzer.</div><div> I am running WIEN2k_12.1 on a DELL Precision workstation with two QuadCore Xeon processors and Debian Linux. It was compiled using ifort 2011.3.174, icc and MKL. The compilation options were:</div>
<div><br></div><div><div> O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback</div><div> L Linker Flags: $(FOPT) -L/opt/intel/composerxe-2011.3.174/mkl/lib/intel64 -pthread</div>
<div> P Preprocessor flags '-DParallel'</div><div> R R_LIB (LAPACK+BLAS): -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread</div><div><br></div><div> I have followed section 4.5.9 of the Users Guide and everything is 0K until the change of indxc to 28 in case.in0 and 50 in case.in0_grr. After this, the SCF cycle stops in the second lapw0 run with the following error message: </div>
<div><br></div><div><div>hup: Command not found.</div><div> LAPW0 END</div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div>Image PC Routine Line Source </div>
<div>lapw0 000000000040505E c3fft_1_ 119 fftpack_helpers.f</div><div>lapw0 0000000000412D5B fftpack_mp_c3fft_ 397 fft_modules.F</div><div>lapw0 000000000047F4EC vresp_ 106 vresp.F</div>
<div>lapw0 0000000000495769 xcpot3_ 147 xcpot3.F</div><div>lapw0 000000000045C064 MAIN__ 1935 lapw0.F</div><div>lapw0 0000000000403D6C Unknown Unknown Unknown</div>
<div>libc.so.6 00002B1096C82C8D Unknown Unknown Unknown</div><div>lapw0 0000000000403C69 Unknown Unknown Unknown</div><div><br></div><div>> stop error</div></div>
<div><br></div><div><br></div><div> I am sending the case.struct and case.in0 files as requested by Prof. Blaha. I have also saved the previous PBE calculation and I can send it if necessary (8.5 MB).</div><div> Thanks in advance,</div>
<div> Luis Ogando</div>
<div><br></div><div><br></div><div><br></div><div><br></div><br><div class="gmail_quote">2012/8/23 <span dir="ltr"><<a href="mailto:eitel@iflysib.unlp.edu.ar" target="_blank">eitel@iflysib.unlp.edu.ar</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Wien users,<br>
<br>
I have had problems when I try to run the cycle mBJ, on in the first iteration, the error is:<br>
<br>
LAPW0 END<br>
forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
Image PC Routine Line Source<br>
lapw0 0000000000404F58 c3fft_1_ 119 fftpack_helpers.f<br>
lapw0 0000000000411EC1 fftpack_mp_c3fft_ 397 fft_modules.F<br>
lapw0 000000000047B3ED vresp_ 106 vresp.F<br>
lapw0 00000000004913E8 xcpot3_ 147 xcpot3.F<br>
lapw0 00000000004582D9 MAIN__ 1935 lapw0.F<br>
lapw0 0000000000403CEC Unknown Unknown Unknown<br>
libc.so.6 00002B57EE0B7EFF Unknown Unknown Unknown<br>
lapw0 0000000000403BE9 Unknown Unknown Unknown<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
stop error<br>
</blockquote>
<br>
can someone tell me what is the origin for this error?<br>
<br>
Thanking in advance.<br>
<br>
Eitel Peltzer<br>
<br>
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