<div dir="ltr"><div><div>Thanks alot Dear Andrea Sir for your prompt response.<br></div>And sorry for wrong forum posting...<br></div>Will see ..<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 Thu, Dec 10, 2015 at 6:48 PM, Andrea Dal Corso <span dir="ltr"><<a href="mailto:dalcorso@sissa.it" target="_blank">dalcorso@sissa.it</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">These questions should be asked on the thermo_pw-forum mailing list.<br>
There the question has been answered and the error has been corrected in<br>
the cvs version:<br>
<br>
Please see commit 21109 and make the same change in your source.<br>
<br>
HTH,<br>
<br>
Andrea<br>
<div class="HOEnZb"><div class="h5"><br>
On Thu, 2015-12-10 at 17:11 +0530, Bramha Pandey wrote:<br>
> Dear Barnali and Dear All Developers and Users,<br>
> I am also getting the same error when running it on single machine with<br>
> mpirun.<br>
> Kindly anybody, help in this regards. I am trying to run example01 and<br>
> 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<br>
> /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<br>
> reference.<br>
><br>
> Backtrace for this error:<br>
> #0<br>
> Program received signal SIGSEGV: Segmentation fault - invalid memory<br>
> 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<br>
> reference.<br>
><br>
> Backtrace for this error:<br>
> #0<br>
> Program received signal SIGSEGV: Segmentation fault - invalid memory<br>
> 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>
> You kind help will highly appreciated.<br>
><br>
> --<br>
> Regards<br>
> Dr. Bramha P Pandey<br>
> Asstt. Prof. ECE Deptt.<br>
> GLA University, Mathura (U.P)<br>
> India-281406.<br>
><br>
> On Wed, Dec 9, 2015 at 6:20 PM, Barnali Bhattacharya <<br>
> <a href="mailto:barnalidgbhatt@gmail.com">barnalidgbhatt@gmail.com</a>> wrote:<br>
><br>
> > Dear Sir/Madam,<br>
> ><br>
> > I am a user of Quantum espresso. I am interested in elastic constant and<br>
> > install thermo_pw.0.3.0 in the quantum espresso (QE 5.2.1) root<br>
> > 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<br>
> > to run example(example13) , I get the following error-<br>
> ><br>
> > ............................................................................................................................<br>
> > running thermo_pw.x as: mpirun -np 4<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x<br>
> > -ni 2 -nk 1 -nd 1 -nb 1 -nt 1<br>
> ><br>
> > cleaning<br>
> > /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...<br>
> > [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]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)<br>
> > [0x459fe4]<br>
> > [cluster:05522] [ 2]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)<br>
> > [0x4aa88a]<br>
> > [cluster:05522] [ 3]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)<br>
> > [0x44f145]<br>
> > [cluster:05522] [ 4]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)<br>
> > [0xb742aa]<br>
> > [cluster:05522] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd)<br>
> > [0x392181ecdd]<br>
> > [cluster:05522] [ 6]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()<br>
> > [0x44f019]<br>
> > [cluster:05522] *** End of error message ***<br>
> > [cluster:05521] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>
> > [cluster:05521] [ 1]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)<br>
> > [0x459fe4]<br>
> > [cluster:05521] [ 2]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)<br>
> > [0x4aa88a]<br>
> > [cluster:05521] [ 3]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)<br>
> > [0x44f145]<br>
> > [cluster:05521] [ 4]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)<br>
> > [0xb742aa]<br>
> > [cluster:05521] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd)<br>
> > [0x392181ecdd]<br>
> > [cluster:05521] [ 6]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()<br>
> > [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]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)<br>
> > [0x459fe4]<br>
> > [cluster:05524] [ 2]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)<br>
> > [0x4aa88a]<br>
> > [cluster:05524] [ 3]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)<br>
> > [0x44f145]<br>
> > [cluster:05524] [ 4]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)<br>
> > [0xb742aa]<br>
> > [cluster:05524] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd)<br>
> > [0x392181ecdd]<br>
> > [cluster:05524] [ 6]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()<br>
> > [0x44f019]<br>
> > [cluster:05524] *** End of error message ***<br>
> > [cluster:05523] [ 0] /lib64/libpthread.so.0() [0x392240f500]<br>
> > [cluster:05523] [ 1]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(clean_ngeo_+0x24)<br>
> > [0x459fe4]<br>
> > [cluster:05523] [ 2]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(thermo_readin_+0x296a)<br>
> > [0x4aa88a]<br>
> > [cluster:05523] [ 3]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(MAIN__+0x65)<br>
> > [0x44f145]<br>
> > [cluster:05523] [ 4]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x(main+0x2a)<br>
> > [0xb742aa]<br>
> > [cluster:05523] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd)<br>
> > [0x392181ecdd]<br>
> > [cluster:05523] [ 6]<br>
> > /home/Utpal/Quantum_espresso/espresso-5.2.1/espresso-5.2.1/bin/thermo_pw.x()<br>
> > [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" rel="noreferrer" target="_blank">cluster.hpc.org</a><br>
> > exited on signal 11 (Segmentation fault).<br>
> ><br>
> > Error condition encountered during test: exit status = 139<br>
> > Aborting<br>
> > [Utpal@cluster example13]$<br>
> ><br>
> > ............................................................................................................................................<br>
> > I have checked that the libpthread.so.0 and libc.so.6 file are not in the<br>
> > lib64 directory, it is in the lib directory. I have checked the Makefile<br>
> > of thermo_pw/src and make.sys of espresso-5.2.1. But could not understand<br>
> > where can I define this path?<br>
> > Could anyone please help me to solve this problem? Any sort of help will<br>
> > be thankfully acknowledged.<br>
> ><br>
> > Thanking you.<br>
> ><br>
> > Sincerely<br>
> > Barnali Bhattacharya<br>
> > Ph.D student, Department of physics,<br>
> > Assam university<br>
> ><br>
> ><br>
> ><br>
> ><br>
> > _______________________________________________<br>
> > Pw_forum mailing list<br>
> > <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
> > <a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br>
> ><br>
> _______________________________________________<br>
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<br>
</div></div><span class="HOEnZb"><font color="#888888">--<br>
Andrea Dal Corso Tel. 0039-040-3787428<br>
SISSA, Via Bonomea 265 Fax. 0039-040-3787249<br>
I-34136 Trieste (Italy) e-mail: <a href="mailto:dalcorso@sissa.it">dalcorso@sissa.it</a><br>
</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
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