p2y segmentation fault :: yambo 3.4.1 r.3187 + QE 5.1.1

[martin.gmitra]

Dear all,

I am getting segmentation fault for p2y within freshly compiled yambo 3.4.1 r.3187 and QE 5.1.1. The p2y crashes on QE 5.1.1 outputs but works fine on QE 5.0.2. Here is the message as well as I am attaching PP and data-file.xml. Any hints are very welcome.

Best regards.

<---> P(W) 2 Y(ambo) Ver. 5.0
<---> DBs path set to .
<---> Index file set to data-file.xml
<---> Header/K-points/Energies...done
<---> Cell data...done
<---> Atomic data...done
<---> Symmetries...[SI no]......[-I no]...[TR yes][pc1011203510:21498] *** Process received signal ***
[pc1011203510:21498] Signal: Segmentation fault (11)
[pc1011203510:21498] Signal code: Address not mapped (1)
[pc1011203510:21498] Failing at address: 0x8
[pc1011203510:21498] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0xf0a0) [0x2b059f5140a0]
[pc1011203510:21498] [ 1] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(xc_f90_info_name_+0x7) [0x556017]
[pc1011203510:21498] [ 2] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(__xc_functionals_MOD_xc_setup_fnctl+0xbd) [0x48a90d]
[pc1011203510:21498] [ 3] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(__xc_functionals_MOD_xc_string+0x80) [0x48aa70]
[pc1011203510:21498] [ 4] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(p2y_db1_+0x19e) [0x4446de]
[pc1011203510:21498] [ 5] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(p2y_i_+0x4c5) [0x445c75]
[pc1011203510:21498] [ 6] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y(main+0x7f0) [0x41d270]
[pc1011203510:21498] [ 7] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xfd) [0x2b059f740ead]
[pc1011203510:21498] [ 8] /temp_local/CODES/espresso/espresso-5.1.1/YAMBO/bin/p2y() [0x41d62d]
[pc1011203510:21498] *** End of error message ***
Segmentation fault

[myrta gruning]

Dear Martin

thank you very much for reporting the problem.
Indeed I tried p2y on a calculation with QE5.1.1. with the same problem.
Using the 5.0.1 with the same input and yambo versions worked fine.
We will look closely at the matter and let you know.

Best
m

[Davide Sangalli]

Dear Martin,
the issue should now be fixed both in the svn repository and in the last version you can download.

Best,
Davide

[vence]

Dear YAMBO developers,

The same segmentation fault occured for p2y in yambo svn rev.70 and QE 5.1.2:

<---> P(W) 2 Y(ambo) Ver. 5.0
<---> DBs path set to .
<---> Index file set to data-file.xml
<---> Header/K-points/Energies...done
<---> Cell data...done
<---> Atomic data...done
<---> Symmetries...[SI no]......[-I no]...[TR yes][client186-150:02874] *** Process received signal ***
[client186-150:02874] Signal: Segmentation fault (11)
[client186-150:02874] Signal code: Address not mapped (1)
[client186-150:02874] Failing at address: 0x8
[client186-150:02874] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0xfcb0) [0x7f88e00d1cb0]
[client186-150:02874] [ 1] /opt/yambo-svn/bin/p2y() [0x62b68d]
[client186-150:02874] [ 2] /opt/yambo-svn/bin/p2y() [0x4a0ac6]
[client186-150:02874] [ 3] /opt/yambo-svn/bin/p2y() [0x444ef3]
[client186-150:02874] [ 4] /opt/yambo-svn/bin/p2y() [0x44637d]
[client186-150:02874] [ 5] /opt/yambo-svn/bin/p2y() [0x40ab84]
[client186-150:02874] [ 6] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f88db94e76d]
[client186-150:02874] [ 7] /opt/yambo-svn/bin/p2y() [0x409d89]
[client186-150:02874] *** End of error message ***

[vence]

No probems with new yambo 4.0.0 (svn rev. 71).

[Davide Sangalli]

Dear Vyacheslav Sokolov,
thank you very much for the report.

We'll try to fix the also stable as soon as possible. Meanwhile either use an older version of pwscf or the 4.0.0 yambo version. However be aware that the 4.0.0 is a devel version, thus still unstable. Presently it overcomes all the tests of our test-suite, which however does not mean yet it is a production version.

D.