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 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
P2y stop with segmentation fault
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Re: P2y stop with segmentation fault
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
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
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
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- Posts: 287
- Joined: Fri Apr 09, 2010 12:30 pm
Re: P2y stop with segmentation fault
Dear Andrea,
I removed uspp option and now it works.
Thank you!
Best
Shudong
I removed uspp option and now it works.
Thank you!
Best
Shudong