<div dir="ltr"><div>Likely, it is due to the "zdotc problem" mentioned here:<br><a href="http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html#SECTION00037610000000000000">http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node14.html#SECTION00037610000000000000</a><br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Apr 9, 2016 at 11:44 PM, <span dir="ltr"><<a href="mailto:plug@infim.ro" target="_blank">plug@infim.ro</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear all<br>
<br>
We managed to get some more information on this issue :<br>
<br>
It seems that pw2wannier90-qe502.x tries to read from a memory address<br>
which is not specified to it. This happens for<br>
`generate_guiding_functions` where ZDOTC runs : forms the dot product of<br>
two complex vectors.<br>
<br>
==21089== Thread 1:<br>
==21089== Invalid read of size 4<br>
==21089== at 0x57BF6B3: ZDOTC (in<br>
/opt/intel/composer_xe_2013.3.163/mkl/lib/intel64/libmkl_intel_lp64.so)<br>
==21089== by 0x448E40: generate_guiding_functions_<br>
(pw2wannier90.f90:2210)<br>
==21089== by 0x44946F: compute_amn_ (pw2wannier90.f90:1998)<br>
==21089== by 0x452A81: MAIN__ (pw2wannier90.f90:245)<br>
==21089== by 0x437F1C: main (pw2wannier90.f90:84)<br>
==21089== Address 0x81 is not stack'd, malloc'd or (recently) free'd<br>
==21089==<br>
<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory<br>
reference.<br>
<br>
Backtrace for this error:<br>
#0 0x979B667<br>
#1 0x979BC34<br>
#2 0xA3A319F<br>
#3 0x57BF6B3<br>
#4 0x448E40 in generate_guiding_functions_ at pw2wannier90.f90:2210<br>
#5 0x44946F in compute_amn_ at pw2wannier90.f90:1998<br>
#6 0x452A81 in pw2wannier90 at pw2wannier90.f90:245<br>
<br>
Maybe this might help to find a cure.<br>
Best,<br>
Neculai<br>
<br>
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N. Plugaru<br>
National Institute of Materials Physics<br>
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</blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>
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