<div dir="ltr"><div><div>The segmentation violation happens at line 84 of flib/plot_io.f90, which should be this one:<br> read (iunplot, * ) (plot (ir), ir = 1, nr1x * nr2x * nr3)<br></div>Likely it is an out-of-bound error. Use pp.x in serial execution, especially whne you produce files containing intermediate results (I think the code crashes when reading one of those)<br><br></div>Paolo<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Sep 23, 2015 at 2:38 PM, Juliana Mendes <span dir="ltr"><<a href="mailto:mendesjuliana.juli@gmail.com" target="_blank">mendesjuliana.juli@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Dear Pwscf users,<br><br></div>I am trying to do a charge density difference plot of my system (an organic molecule adsorbed on iron (001)), but<span> I'm finding the following problem when I run the pp.x code.<br><br></span></div><span></span><br><span><span style="color:rgb(255,0,0)">Currently Loaded Modulefiles:<br> 1) softwares/intel/11.0/schrodinger/2012-04<br> 2) compiladores/intel/2011<br> 3) bibliotecas/intel/2011/openmpi/1.4.5<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>pp.x 00000000008A56F4 Unknown Unknown Unknown<br>pp.x 00000000008A02C2 Unknown Unknown Unknown<br>pp.x 000000000084A766 Unknown Unknown Unknown<br>pp.x 00000000008499D7 Unknown Unknown Unknown<br>pp.x 0000000000761932 plot_io_ 84 plot_io.f90<br>pp.x 0000000000433D35 chdens_ 258 chdens.f90<br>pp.x 000000000043233B MAIN__ 44 postproc.f90<br>pp.x 0000000000431B5C Unknown Unknown Unknown<br>libc.so.6 000000356B41D994 Unknown Unknown Unknown<br>pp.x 0000000000431A69 Unknown Unknown Unknown<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>pp.x 00000000008A56F4 Unknown Unknown Unknown<br>pp.x 00000000008A02C2 Unknown Unknown Unknown<br>pp.x 000000000084A766 Unknown Unknown Unknown<br>pp.x 00000000008499D7 Unknown Unknown Unknown<br>pp.x 0000000000761932 plot_io_ 84 plot_io.f90<br>pp.x 0000000000433D35 chdens_ 258 chdens.f90<br>pp.x 000000000043233B MAIN__ 44 postproc.f90<br>pp.x 0000000000431B5C Unknown Unknown Unknown<br>libc.so.6 000000356B41D994 Unknown Unknown Unknown<br>pp.x 0000000000431A69 Unknown Unknown Unknown<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>pp.x 00000000008A56F4 Unknown Unknown Unknown<br>pp.x 00000000008A02C2 Unknown Unknown Unknown<br>pp.x 000000000084A766 Unknown Unknown Unknown<br>pp.x 00000000008499D7 Unknown Unknown Unknown<br>pp.x 0000000000761932 plot_io_ 84 plot_io.f90<br>pp.x 0000000000433D35 chdens_ 258 chdens.f90<br>pp.x 000000000043233B MAIN__ 44 postproc.f90<br>pp.x 0000000000431B5C Unknown Unknown Unknown<br>libc.so.6 000000356B41D994 Unknown Unknown Unknown<br>pp.x 0000000000431A69 Unknown Unknown Unknown<br>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image PC Routine Line Source <br>pp.x 00000000008A56F4 Unknown Unknown Unknown<br>pp.x 00000000008A02C2 Unknown Unknown Unknown<br>pp.x 000000000084A766 Unknown Unknown Unknown<br>pp.x 00000000008499D7 Unknown Unknown Unknown<br>pp.x 0000000000761932 plot_io_ 84 plot_io.f90<br>pp.x 0000000000433D35 chdens_ 258 chdens.f90<br>pp.x 000000000043233B MAIN__ 44 postproc.f90<br>pp.x 0000000000431B5C Unknown Unknown Unknown<br>libc.so.6 000000356B41D994 Unknown Unknown Unknown<br>pp.x 0000000000431A69 Unknown Unknown Unknown<br>--------------------------------------------------------------------------<br>mpirun has exited due to process rank 0 with PID 5390 on<br>node compute-3-1.local exiting without calling "finalize". This may<br>have caused other processes in the application to be<br>terminated by signals sent by mpirun (as reported here).<br>--------------------------------------------------------------------------</span><br></span><span lang="en"><span></span></span><div><br></div><div>I
am working with 4 processors (all calculations) and my version of
quantum espresso is 5.0. I tried in different machines to check if the
problem was in my machine, but I still have the same problem.<br></div><div>I don't know if the problem is in my machines, in the QE version or if it is a compilation problem.<br><br></div><div>Below is attached my input:<br><br>&inputpp<br> /<br>&plot<br> nfile=3<br> filepp(1)='imidza.perp.hollow.mag141.charge', weight(1)=1.0<br> filepp(2)='sup63.opt.mag141.charge', weight(2)=-1.0<br> filepp(3)='imidza.perp.hollow.charge', weight(3)=-1.0<br> iflag=3<br> output_format=5<br> fileout='sup.imidza.cdd.xsf'<br> /<br><b><br></b></div><div><b>Does anyone have an idea of what is happening? </b><br><br></div><div>Thanks in advance for the help!<br><br></div><div>Regards,<br><br></div>Juliana Mendes.<br clear="all"><br clear="all"><br>-- <br><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><p style="margin:0cm 0cm 0.0001pt"><span style="color:rgb(0,0,255)"><span style="font-size:10pt;font-family:"Arial","sans-serif"">Juliana de O. Mendes</span></span></p><p style="margin:0cm 0cm 0.0001pt"><span style="color:rgb(0,0,255)">Postdoctoral in Chemistry<br></span></p><p style="margin:0cm 0cm 0.0001pt"><span style="color:rgb(0,0,255)">Physical Chemistry Department<span>
</span></span></p><div><span style="color:rgb(0,0,255)">Chemistry Institute</span></div>
<div><span style="color:rgb(0,0,255)">Federal University of Rio de Janeiro</span></div>
<div><span style="color:rgb(0,0,255)">Cidade Universitária, CT Bloco A sala 412</span></div>
<div><span style="color:rgb(0,0,255)">Rio de Janeiro, RJ 21949-900</span></div>
<div><span style="color:rgb(0,0,255)">Brazil</span></div></div></div></div></div></div></div></div></div></div></div></div></div>
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