P2y stop with segmentation fault

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P2y stop with segmentation fault

Postby sdwang » Wed Sep 11, 2019 4:09 am

Dear developers,
I am using Yambo-4.4.0 to generate SAVE file, but at the end of the process, it stops with 'segmentation fault'. And I tried to do yamb -i, and it works without any error(I used enable-uspp configuration).
<---> DBs path set to .
<---> detected QE data format: qexsd
<---> == PWscf v.6.x generated data (QEXSD fmt) ==
<---> Header/K-points/Energies... done
<---> Cell data...
<01s> [WARNING]Two or more crystal strcutures fit the given cell done
<01s> Atomic data... done
<01s> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes]
<01s> XC functional...Slater exchange(X)+Perdew & Zunger(C)
<01s> EXX fraction... 0.000000
<01s> EXX screening... 0.000000
<01s> K-points mesh... done
<01s> RL vectors... done
<01s> IGK arrays... done
<01s> Energies... done
<02s> :: Electrons : 52.00000
<02s> :: Temperature [ev]: 0.000000
<02s> :: Lattice factors [a.u.]: 6.03420 5.22577 47.85371
<02s> :: K-points : 102
<02s> :: Bands : 600
<02s> :: Spinor components : 2
<02s> :: Spin polarizations : 1
<02s> :: Spin orbit coupling : yes
<02s> :: Symmetries [spatial]: 6
<02s> :: [T-rev]: yes
<02s> :: Max WF components : 10463
<02s> :: RL vectors (WF): 13265
<02s> :: RL vectors (CHARGE): 328905
<02s> :: XC potential : Slater exchange(X)+Perdew & Zunger(C)
<02s> :: Atomic species : 3
<02s> :: Max atoms/species : 2
<02s> == DB1 (Gvecs and more) ...
<02s> ... Database done
<02s> == DB2 (wavefunctions) ...
<18m-59s> [p2y] wfc_io |########################################| [100%] 18m-57s(E) 18m-57s(X) done ==
<18m-59s> == DB3 (PseudoPotential) ...[wsd2:02686] *** Process received signal ***
[wsd2:02686] Signal: Segmentation fault (11)
[wsd2:02686] Signal code: Address not mapped (1)
[wsd2:02686] Failing at address: 0x10
[wsd2:02686] [ 0] /lib64/libpthread.so.0() [0x313900f7e0]
[wsd2:02686] [ 1] /public/software/yambo-4.3.2-sp/bin/p2y(init_us_1_+0x4d5b) [0x58a03b]
[wsd2:02686] [ 2] /public/software/yambo-4.3.2-sp/bin/p2y(pp_pwscf_driver_+0x1955) [0x4ce845]
[wsd2:02686] [ 3] /public/software/yambo-4.3.2-sp/bin/p2y(p2y_i_+0x1061) [0x4d5da1]
[wsd2:02686] [ 4] /public/software/yambo-4.3.2-sp/bin/p2y(main+0x1055) [0x481345]
[wsd2:02686] [ 5] /lib64/libc.so.6(__libc_start_main+0xfd) [0x3138c1ed1d]
[wsd2:02686] [ 6] /public/software/yambo-4.3.2-sp/bin/p2y() [0x480229]
[wsd2:02686] *** End of error message ***
Segmentation fault (core dumped)
Thanks!

SD
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn
sdwang
 
Posts: 212
Joined: Fri Apr 09, 2010 12:30 pm

Re: P2y stop with segmentation fault

Postby andrea.ferretti » Wed Sep 11, 2019 9:08 am

Hi Shudong,

thanks for reporting.
Two main comments:
- USPP are currently supported as a preliminary feature, only for HF and with limited symmetry support;
this means USPP are not yet production-level, but mostly usable for testing
- Concerning the problem you are experiencing, it would be very useful to have an input to reproduce (and possibly solve)
the problem

take care
Andrea
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it
andrea.ferretti
 
Posts: 102
Joined: Fri Jan 31, 2014 11:13 am

Re: P2y stop with segmentation fault

Postby sdwang » Thu Sep 12, 2019 2:30 am

Dear Andrea,
I removed uspp option and now it works.
Thank you!

Best


Shudong
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn
sdwang
 
Posts: 212
Joined: Fri Apr 09, 2010 12:30 pm


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