Segfault when linking with Wannier90

External optional components of Abinit (BigDFT, Wannier90, ...) and codes using / providing data from / to Abinit (AtomPAW, EXC, DP, SAX, WanT, Yambo, ...).

Moderator: rangel

Post Reply
esr3d
Posts: 16
Joined: Sun Jul 27, 2014 12:38 am

Segfault when linking with Wannier90

Post by esr3d » Tue Dec 02, 2014 4:10 am

Hi,

I am running ABINIT v.7.8.2 on my MacBookPro (from around 2011), running OS 10.6.8 (snow leopard). I would like to link ABINIT with Wannier90 and I have installed ABINIT with Wannier90. However, when I run the first part of the Wannier90 tutorial provided on the ABINIT website, the job is interrupted by a segfault. I've attached the log file for the job.

I brought up this issue in a different section of the forum (viewtopic.php?f=3&t=2854) and was directed here.

Do you know what might be causing this segfault?

Thanks!
~Ellen
Attachments
log1.log
(56.28 KiB) Downloaded 296 times

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Segfault when linking with Wannier90

Post by Jordan » Thu Dec 04, 2014 9:26 am

You should recompile abinit using some debug flags to see where the segfault happens inside abinit and check that the problem is not related to an optimization
Add in you *.ac file or on you ./configure command ligne FCFLAGS_EXTRA="-g -O0 -fbacktrace" and compile the whole code.
Run again the tutorial and post here the log file.

Jordan

esr3d
Posts: 16
Joined: Sun Jul 27, 2014 12:38 am

Re: Segfault when linking with Wannier90

Post by esr3d » Fri Dec 05, 2014 1:13 am

I've added that line to my config file and recompiled. I've attached the log file from running the first part of the Wannier90 tutorial.

For reference, this is my config file:

Code: Select all

with_trio_flavor="netcdf+etsf_io"
with_etsf_io_incs="-I/opt/local/include/gcc"
with_netcdf_incs="-I/opt/local/include"
with_netcdf_libs="-L/opt/local/lib -lnetcdf -lnetcdff"
with_linalg_flavor="atlas"
with_linalg_incs="-I/opt/local/include"
with_linalg_libs="-L/opt/local/lib -llapack -lf77blas -lcblas -latlas"
with_dft_flavor="libxc+wannier90"
with_libxc_incs="-I/opt/etsf/include"
with_libxc_libs="-L/opt/etsf/lib -lxc -lxcf90"
enable_clib="yes"
CC=/opt/local/bin/gcc-mp-4.8
CPP=/opt/local/bin/cpp-mp-4.8
FC=/opt/local/bin/gfortran-mp-4.8
FCCPP=/opt/local/bin/cpp-mp-4.8
FCFLAGS_EXTRA="-g -O0 -fbacktrace"
enable_shared
enable_optim="safe"


Thanks,
Ellen
Attachments
wannier90.log
(56.28 KiB) Downloaded 280 times

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Segfault when linking with Wannier90

Post by Jordan » Fri Dec 05, 2014 10:31 am

Have you "make clean" before recompiling ?
The backtrace is still missing debug information.

The crash happens during the reading of the density so I don't think it is related to wannier90 but might be triggered in the case of this tutorial.

Please recompile and make sure that at the beginning of your log file you don't have "-O3" for FCFLAGS in the Compiler suite build information but "-O0 -g -fbacktrace"

The end of you file should look something like
#0 0x7F3660E477D7
#1 0x1248440 in show_backtrace at m_errors.F90:951
#2 0x964EE6 in mlwfovlp_seedname_ at mlwfovlp_seedname.F90:110
#3 0x94E84B in mlwfovlp_ at mlwfovlp.F90:210
#4 0x4F461E in outscfcv_ at outscfcv.F90:309
#5 0x4DAB7B in scfcv_ at scfcv.F90:1924

(Note the name of the function and line that you don't have)

Jordan

sudipta
Posts: 6
Joined: Wed Mar 11, 2015 12:28 pm

Trouble linking with Wannier90

Post by sudipta » Thu Mar 12, 2015 4:51 am

Hello I am using abinit 7.10.2. When I am running wannier 90 programs, It is showing following error.

prtwant==2 is only relevant if wannier90 library is linked
Action: check compilation options,

I am not getting how it is to be compiled. I am attaching here my configuration log file which is showing wannier90 enabled.
Attachments
config.log
(158.66 KiB) Downloaded 246 times

Jordan
Posts: 282
Joined: Tue May 07, 2013 9:47 am

Re: Segfault when linking with Wannier90

Post by Jordan » Mon Mar 16, 2015 2:47 pm

Hi,

Your configuration file looks fine.
You do have
#define HAVE_DFT_WANNIER90 1
in it so Wannier90 is activated.

Are you sure you run the abinit executable compiled with Wannier90 and not an other version ?
Or if you rebuilt abinit on a previous build, did you "make clean" before "make" ?

Jordan

sudipta
Posts: 6
Joined: Wed Mar 11, 2015 12:28 pm

Re: Segfault when linking with Wannier90

Post by sudipta » Thu Mar 19, 2015 9:32 am

No its new and I have installed it afresh.

sheng
Posts: 64
Joined: Fri Apr 11, 2014 3:44 pm

Re: Segfault when linking with Wannier90

Post by sheng » Mon May 18, 2015 2:15 pm

I don't know if this is relevant to you, but I found out that both abinit wannier90 fallback and newer wannier90 (v2.0.0 and v2.0.1) compiled from sources will result in segmentation error with abinit v7.10.4.

I overcame it by compiling wannier90 v1.2 from sources and then linking it with abinit.

User avatar
pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: Segfault when linking with Wannier90

Post by pouillon » Tue Jun 09, 2015 1:20 pm

Abinit 7.10 is indeed compatible with Wannier90 1.2 only. To my knowledge, there is no current plan to support Wannier90 2.0.

I updated the Wannier90 1.2 fallback for Abinit 8, which should solve the segfault issue.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

Post Reply