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

[Mahmoud Payami Shabestari]

Dear Paolo,

Thank you so much.

Now it is ok.



Bests,

Mahmoud









From: Paolo Giannozzi <p.giannozzi at gmail.com>
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>,  
Mahmoud Payami Shabestari <mpayami at aeoi.org.ir>
Date: Tue, 21 Sep 2021 15:36:34 +0200
Subject: Re: [QE-users] Seg. Fault in the writing .save step


Oops ... you need to change Modules/qexsd_init.f90 as done here:
https://gitlab.com/QEF/q-e/-/merge_requests/1563/diffs?commit_id=521042c09a996738e6490693a41ed4b6d0a26746
Thank you for reporting this


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,
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