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Failure in reading WFK file

Posted: Tue Oct 28, 2014 4:32 am
by sheng
Hi all, I am using abinit v7.8.2 installed in a rocks cluster.
I notice that the reading of the wavefunction file (WFK) fails whenever I activate the KGB 3-level parallelization.
Some part of the log file is:

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Indeed, critical differences between current calculation and
  restart file have been detected in:
        * the plane-wave cutoff
================================================================================
-inwffil : will read wavefunctions from disk file DPi_DS1_WFK
 Relative gap for number of plane waves between process:     0.00

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.

Backtrace for this error:

Program received signal SIGSEGV: Segmentation fault - invalid memory reference.


The error appears whenever I include the option irdwfk or getwfk in my input file.
I have tested the usability of the WFK file by using the cut3d utility.
The problem did not arise when I run serial or normal mpi calculation.

Re: Failure in reading WFK file

Posted: Tue Oct 28, 2014 10:30 am
by Jordan
Could you provide your input file and your files file ?
Maybe the standard ouput (log) files too.

Is it with the abinit from your liblzma issue ?

Jordan

Re: Failure in reading WFK file

Posted: Wed Oct 29, 2014 2:51 pm
by sheng
Yes this is the abinit with the liblzma problem.
I have attached a log file where a loop is used with getwfk but resulted in error.
Thanks.

Re: Failure in reading WFK file

Posted: Thu Oct 30, 2014 9:38 am
by Jordan
Hi,

Well, it seems that there is something wrong in the code but there is not really enough information in the backtrace.
I would say that the segmentation fault occurs because the ecut is different in the _WFK file and the current dtset.
I would suggest to try to restart with getden -1 instead of getwfk -1

If you can recompile abinit exactly the same way be with no optimization and a full backtrace report setting

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FCFLAGS_OPTIM="-O0"
FCFLAGS_EXTRA="-g -fcheck=all"

and just use this version of abinit to run the dtset 2 (set dtset 1 jdtset 2 in your input file) so we can see what the problem is.
You will have for sure warning about temporary arrays, just ignore them

Jordan