[Pw_forum] PHonon examples crashes in SUSE 11.1 with compiled with ifort there is some memory problem in

[eitan eidelstein]

I checked the new crashing and....
The file a2Fmatdyn.61 does not exist on runtime since q2r get into the
error:
              call errore('init',' nc already filled: wrong q grid or wrong
nr',1)
Maybe the "fixed" segmentation fault problem still has its effect on nr or
q grid.
thanks, eitan.

On Thu, Dec 27, 2012 at 5:55 AM, eitan eidelstein <
eitan.eidelstein at gmail.com> wrote:

> thanks for your answer.
> I tried to figure the segmentation fault problem.
> in that line you have:
>                     etq = etfit(jbnd,eqqfit(ik)+nksfit*(ispin-1)/2)
> I checked the numbers and saw that eqqfit(ik) get impossible values.
> I added a line after the line 545:
>            eqqfit(ik) = eqkfit(nn)
>            print *, 'ik  eqqfit(ik)=',ik,eqqfit(ik)
> and the problem disappear ??????
> I think there is a memory leak or violation somewhere.
> The Simulation crashed now in a different point:
>   running matdyn for frequency calculation...forrtl: severe (24):
> end-of-file during read, unit 61, file
> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example03/results/a2Fmatdyn.61
> Image              PC                Routine            Line
> Source
> matdyn.x           0000000000864CFA  Unknown               Unknown  Unknown
> matdyn.x           00000000008637F6  Unknown               Unknown  Unknown
> matdyn.x           0000000000809C00  Unknown               Unknown  Unknown
> matdyn.x           00000000007A530E  Unknown               Unknown  Unknown
> matdyn.x           00000000007A484F  Unknown               Unknown  Unknown
> matdyn.x           00000000007D174E  Unknown               Unknown  Unknown
> matdyn.x           00000000004122DF  a2fdos_                  1947
> matdyn.f90
> matdyn.x           000000000040AA34  MAIN__                    667
> matdyn.f90
> matdyn.x           000000000040540C  Unknown               Unknown  Unknown
> libc.so.6          00007F983A8DDBC6  Unknown               Unknown  Unknown
> matdyn.x           0000000000405309  Unknown               Unknown  Unknown
> Error condition encountered during test: exit status = 24
> Aborting
> I think the bug is between your code and ifort (I checked that with ifort
> version 13.0.1 too).
> thanks, eitan.
>
> On Tue, Dec 18, 2012 at 6:39 AM, eitan eidelstein <
> eitan.eidelstein at gmail.com> wrote:
>
>>
>> Hello,
>> I am using:
>> Linux admin 2.6.32.12-0.7-default #1 SMP 2010-05-20 11:14:20 +0200 x86_64
>> x86_64 x86_64 GNU/Linux
>> Linux version 2.6.32.12-0.7-default (geeko at buildhost) (gcc version 4.3.4
>> [gcc-4_3-branch revision 152973] (SUSE Linux) ) #1 SMP 2010-05-20 11:14:20
>> +0200
>> SUSE Linux Enterprise Server 11 (x86_64)
>> VERSION = 11
>> PATCHLEVEL = 1
>>
>> downloaded the:
>> espresso-5.0.2.tar.gz
>>
>> compilled with:
>> ifort version 12.1.0
>>
>> configure output:attached
>> do the next warning is problematic???
>> configure: WARNING: using cross tools not prefixed with host triplet
>>
>> make all output:attached
>> I get a lots of warnings and remarks similar to:
>> ar: creating libiotk.a
>> kind.f90(38): remark #8291: Recommended relationship between field width
>> 'W' and the number of fractional digits 'D' in this edit descriptor is
>> 'W>=D+7'.
>>         WRITE(
>> stdout,'(/,T2,A,T78,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8))') &
>> --------------------------------------------------------------------^
>>
>> and
>> iotk_stream.f90(1225): warning #6843: A dummy argument with an explicit
>> INTENT(OUT) declaration is not given an explicit value.   [VAL]
>> subroutine
>> iotk_stream_read_COMPLEX2(unit,header,val,setpos,getpos,noval,ierr)
>> -------------------------------------------------^
>>
>>
>> when running example01 in PHonon/:
>> eeitan at admin ~/QE/espresso-5.0.2/PHonon/examples/example03> run_example
>>
>> /home/eeitan/QE/espresso-5.0.2/PHonon/examples/example03 : starting
>>
>> This example shows how to calculate electron-phonon interaction
>> coefficients for fcc Al.
>>
>>   executables directory: /home/eeitan/QE/espresso-5.0.2/bin
>>   pseudo directory:      /home/eeitan/QE/espresso-5.0.2/pseudo
>>   temporary directory:   /home/eeitan/tmp
>>   checking that needed directories and files exist... done
>>
>>   running pw.x as:   /home/eeitan/QE/espresso-5.0.2/bin/pw.x  -nband 1
>> -ntg 1
>>   running ph.x as:   /home/eeitan/QE/espresso-5.0.2/bin/ph.x  -nband 1
>> -ntg 1
>>   running q2r.x as:   /home/eeitan/QE/espresso-5.0.2/bin/q2r.x  -nband 1
>> -ntg 1
>>   running matdyn.x as:   /home/eeitan/QE/espresso-5.0.2/bin/matdyn.x
>> -nband 1 -ntg 1
>>   running lambda.x as: /home/eeitan/QE/espresso-5.0.2/bin/lambda.x
>>
>>   cleaning /home/eeitan/tmp...  done
>>   running the scf calculation with dense k-point grid...  done
>>   running the scf calculation...  done
>>   running the el-ph calculation...forrtl: severe (174): SIGSEGV,
>> segmentation fault occurred
>> Image              PC                Routine            Line
>> Source
>> ph.x               0000000000424EFE  elphsum_                  623
>> elphon.f90
>> ph.x               0000000000406823  MAIN__                    145
>> phonon.f90
>> ph.x               00000000004065FC  Unknown               Unknown
>> Unknown
>> libc.so.6          00007F4D09702BC6  Unknown               Unknown
>> Unknown
>> ph.x               00000000004064F9  Unknown               Unknown
>> Unknown
>> Error condition encountered during test: exit status = 174
>> Aborting
>>
>> thanks in advance,
>> eitan.
>>
>
>
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