[QE-users] Seg. Fault in the writing .save step

[Mahmoud Payami Shabestari]

I see.

Thank you very much Paolo for your comments.



Best regards,

Mahmoud







From: Paolo Giannozzi <p.giannozzi at gmail.com>
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Date: Mon, 20 Sep 2021 13:33:48 +0200
Subject: Re: [QE-users] Seg. Fault in the writing .save step


cp.x works with DFT+U (or at least, it was working the last time I tried) 
but maybe there are problems under some circumstances with recent changes.


Paolo


On Mon, Sep 20, 2021 at 12:57 PM Mahmoud Payami Shabestari 
<mpayami at aeoi.org.ir> wrote:
Dear Paolo,
Hi again.
In non_dft+u calculation, I have no SEG. FAULT problem.
Is cp.x inconsistent with dft+u?


Mahmoud




Dear Paolo,
Hi.
Thank you so much for your reply.
1- I am using the cp.c included in QE-6.7. Yes, I am using DFT+U.
2- The Intel compiler 2018 update 4 is used for building.


Thank you again.
Bests,
Mahmoud






Hi Mahmoud


1.  are you running CP (which version?) with DFT+U?
2.  which compiler are you using? several old versions of the Intel compiler 
have problems with that part of the code


Paolo
 
On Mon, Sep 20, 2021 at 10:47 AM Mahmoud Payami Shabestari 
<mpayami at aeoi.org.ir> wrote:
Dear QE users,


I am running cp.x for a given input file. The run is completed but when the 
program starts to write   .save
files, I get the following SEG. FAULT:
-----------------
  writing restart file (with schema): ./temp/sio2_50.save/
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source   
          
cp.x               0000000000A89F5D  Unknown               Unknown  Unknown
libpthread-2.28.s  000014C60FE80E70  Unknown               Unknown  Unknown
cp.x               000000000076B05A  qexsd_init_mp_qex         456  
qexsd_init.f90
cp.x               00000000005A0F74  cp_restart_new_mp         296  
cp_restart_new.f90
cp.x               00000000004EA3E2  writefile_x_               92  
restart.f90
cp.x               000000000043746B  cprmain_                  960  cpr.f90
cp.x               000000000041AE17  cpr_loop_                  44  
cpr_loop.f90
cp.x               0000000000407310  MAIN__                     77  
cprstart.f90
cp.x               000000000040721E  Unknown               Unknown  Unknown
libc-2.28.so       000014C60F763413  __libc_start_main     Unknown  Unknown
cp.x               000000000040712E  Unknown               Unknown  Unknown
--------------------------------------------------------------------------


It should be mentioned that:
1)- the "ulimit -s unlimited" recipe has already been applied.
2)- The Example-1 of cp.x for SiO2 has been run successfully without such an 
error.


Any comments is highly appreciated.


Best regards,
Mahmoud Payami
AEOI, Tehran, Iran




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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222


_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users at lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users


--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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