<div dir="ltr"><div><div><div>Dear Barnali and Dear All Developers and Users,<br></div>I am also getting the same error when running it on single machine with mpirun.<br></div>Kindly anybody, help in this regards. I am trying to run example01 and errors are:::<br><br>bpp@bpp:~/espresso-5.2.1/thermo_pw/examples/example01$ ./run_example <br><br>/home/bpp/espresso-5.2.1/thermo_pw/examples/example01 : starting<br><br>This example shows how to use thermo_pw.x to make a self-consistent <br>calculation of Silicon.<br><br>  executables directory: /home/bpp/espresso-5.2.1/bin<br>  pseudo directory:      /home/bpp/espresso-5.2.1/pseudo<br>  temporary directory:   /home/bpp/espresso-5.2.1/tempdir<br>  checking that needed directories and files exist... done<br><br>  running thermo_pw.x as: mpirun -np 4 /home/bpp/espresso-5.2.1/bin/thermo_pw.x -ni 2 <br><br>  cleaning /home/bpp/espresso-5.2.1/tempdir... done<br>  running the scf calculation for Si...<br>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br><br>Backtrace for this error:<br>#0  <br>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br><br>Backtrace for this error:<br>#0  0xB736E133<br>#1  0xB736E7D0<br>#2  0xB76FC403<br>0xB73B4133<br>#1  0xB73B47D0<br>#2  0xB7742403<br>#3  0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338<br>#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569<br>#5  #3  0x804DF7B in thermo_pw at thermo_pw.f90:140<br>0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338<br>#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569<br>#5  0x804DF7B in thermo_pw at thermo_pw.f90:140<br><br>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br><br>Backtrace for this error:<br>#0  <br>Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br><br>Backtrace for this error:<br>0xB73A4133<br>#1  0xB73A47D0<br>#2  0xB7732403<br>#0  0xB7351133<br>#1  0xB73517D0<br>#2  0xB76DF403<br>#3  0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338<br>#4  #3  0x8099B08 in thermo_readin_ at thermo_readin.f90:569<br>#5  0x804DF7B in thermo_pw at thermo_pw.f90:140<br>0x8057E2F in clean_ngeo_ at initialize_thermo_work.f90:338<br>#4  0x8099B08 in thermo_readin_ at thermo_readin.f90:569<br>#5  0x804DF7B in thermo_pw at thermo_pw.f90:140<br>Error condition encountered during test: exit status = 139<br>Aborting<br></div>You kind help  will highly appreciated.<br></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">-- <br><div><div><div><div>Regards<br></div>Dr. Bramha P Pandey<br></div>Asstt. Prof. ECE Deptt.<br></div>GLA University, Mathura (U.P)<br></div><div></div>India-281406.</div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Wed, Dec 9, 2015 at 6:20 PM, Barnali Bhattacharya <span dir="ltr"><<a href="mailto:barnalidgbhatt@gmail.com" target="_blank">barnalidgbhatt@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">Dear Sir/Madam,<br><br>I am a user of Quantum espresso. I am interested in elastic constant and  install  thermo_pw.0.3.0  in the quantum espresso (QE 5.2.1) root directory.  I have followed the flowing steps-<br><br>cd espresso-5.2.1<br>./configure  --enable-openmp<br>cd thermo_pw<br>make join_qe<br>cd  ../<br>make all<br><br>Without showing any error thermo_pw.x has been built, but when I am trying to run example(example13) , I get the following error-<br>............................................................................................................................<br>  running thermo_pw.x as: mpirun -np 4 /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x -ni 2  -nk 1 -nd 1 -nb 1 -nt 1 <br><br>  cleaning /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/tempdir... done<br>  running the thermo mur_lc_elastic_constants calculation<br>  to calculate the elastic constants of silicon at the <br>  equilibrium lattice constant. The results are in si.elastic.out... [cluster:05522] *** Process received signal ***<br>[cluster:05522] Signal: Segmentation fault (11)<br>[cluster:05522] Signal code: Address not mapped (1)<br>[cluster:05522] Failing at address: 0xffffffff<br>[cluster:05521] *** Process received signal ***<br>[cluster:05521] Signal: Segmentation fault (11)<br>[cluster:05521] Signal code: Address not mapped (1)<br>[cluster:05521] Failing at address: 0xffffffff<br>[cluster:05522] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05522] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05522] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05522] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05522] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05522] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05522] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05522] *** End of error message ***<br>[cluster:05521] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05521] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05521] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05521] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05521] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05521] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05521] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05521] *** End of error message ***<br>[cluster:05524] *** Process received signal ***<br>[cluster:05524] Signal: Segmentation fault (11)<br>[cluster:05524] Signal code: Address not mapped (1)<br>[cluster:05524] Failing at address: 0xffffffff<br>[cluster:05523] *** Process received signal ***<br>[cluster:05523] Signal: Segmentation fault (11)<br>[cluster:05523] Signal code: Address not mapped (1)<br>[cluster:05523] Failing at address: 0xffffffff<br>[cluster:05524] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05524] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05524] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05524] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05524] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05524] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05524] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05524] *** End of error message ***<br>[cluster:05523] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>[cluster:05523] [ 1] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24) [0x459fe4]<br>[cluster:05523] [ 2] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a) [0x4aa88a]<br>[cluster:05523] [ 3] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65) [0x44f145]<br>[cluster:05523] [ 4] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a) [0xb742aa]<br>[cluster:05523] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x392181ecdd]<br>[cluster:05523] [ 6] /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x() [0x44f019]<br>[cluster:05523] *** End of error message ***<br><br>mpirun noticed that process rank 0 with PID 5521 on node <a href="http://cluster.hpc.org" target="_blank">cluster.hpc.org</a> exited on signal 11 (Segmentation fault).<br><br>Error condition encountered during test: exit status = 139<br>Aborting<br>[Utpal@cluster example13]$ <br>............................................................................................................................................<br>I have checked that the libpthread.so.0 and libc.so.6 file are not in the lib64 directory, it is in the lib directory.  I have checked the Makefile of thermo_pw/src and make.sys of espresso-5.2.1. But could not understand where  can I define  this path?<br>Could anyone please help me to solve this problem? Any sort of help will be thankfully acknowledged.<br><br>Thanking you.<br> <br>Sincerely <br><span class="HOEnZb"><font color="#888888">Barnali Bhattacharya<br>Ph.D student, Department of physics,<br>Assam university<br><br> <br><br></font></span></div>
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