<div dir="ltr"><div><div><div><div><div> Hi Paolo,<br><br></div> I run interactively and I have got the folloeing error message:<br><br>> /../mpich-3.1.4/local/bin/mpirun -np 4 /Cluster/Science/espresso-5.1.2/bin/pw.x < <a href="http://s8.in">s8.in</a> > s8.out<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>libmkl_mc3.so 00002AAAB0A312DF Unknown Unknown Unknown<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>libmkl_mc3.so 00002AAAB09F02DF Unknown<br><br></div> The s8.output is:<br><br> Program PWSCF v.5.1.2 starts on 23Mar2015 at 9:33:16<br><br> This program is part of the open-source Quantum ESPRESSO suite<br> for quantum simulation of materials; please cite<br> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br> URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>",<br> in publications or presentations arising from this work. More details at<br> <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a><br><br> Parallel version (MPI), running on 4 processors<br> R & G space division: proc/nbgrp/npool/nimage = 4<br> Waiting for input...<br> Reading input from standard input<br><br> Current dimensions of program PWSCF are:<br> Max number of different atomic species (ntypx) = 10<br> Max number of k-points (npk) = 40000<br> Max angular momentum in pseudopotentials (lmaxx) = 3<br><br> -------------------------------------<br> Parameters for Dispersion Correction:<br> -------------------------------------<br> atom VdW radius C_6<br><br> S 3.180 193.230<br><br> Subspace diagonalization in iterative solution of the eigenvalue problem:<br> a serial algorithm will be used<br><br><br>===================================================================================<br>= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>= PID 31568 RUNNING AT dirac<br>= EXIT CODE: 174<br>= CLEANING UP REMAINING PROCESSES<br>= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES<br>===================================================================================<br><br></div> I google libmkl_mc3.so + segmentation fault occurred but only a few results are obtained, none with quantum espresso. Any sugestions?<br><br></div> Thanks,<br><br></div> Alexander.<br><div><div><div><div><br></div></div></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-03-20 11:12 GMT-03:00 Paolo Giannozzi <span dir="ltr"><<a href="mailto:paolo.giannozzi@uniud.it" target="_blank">paolo.giannozzi@uniud.it</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">On Thu, 2015-03-19 at 12:01 -0300, Alexander Martins wrote:<br>
<br>
> mpirun -np 24 /Cluster/Science/espresso-5.1.2/bin/pw.x < $INP ><br>
> $PBS_JOBNAME.out<br>
<br>
</span>do not redirect to output, or run interactively from a terminal,<br>
and look what comes out. You may want to verify that variable $INP<br>
points to something<br>
<span class=""><br>
> I have compiled with ifort+MKL and external mpich and fftw3<br>
> libraries. The make.sys is attached.<br>
<br>
</span>it is exceeedingly unlikely that what you describe is a problem<br>
of the code.<br>
<span class="HOEnZb"><font color="#888888"><br>
Paolo<br>
<br>
--<br>
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
<br>
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