[Smeagol-discuss] segmentation fault

[Serhan Yamacli]

Hi Ivan and other friends,

I've tried the simulation using Single Zeta basis set, the program advanced
a bit, but it again gave segmentation error like:

-------------------------------------------
InitMesh: Mesh cutoff (required, used) =   100.000   103.137 Ry

* Maximum dynamic memory allocated =    62 MB

(NOTE: PREVIOUSLY, THE PROGRAM GAVE SEGMENTATION FAULT HERE, BUT IT
CONTINUED NOW)

gensvd: Leads decimation
gensvd: Dim of H1 and S1 :    324
gensvd: Rank of H1:            38
gensvd: Rank of (H1,S1):      117
gensvd: Decimated states:     169
gensvd: Decimation from the left
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :    324
gensvd: Rank of H1:            38
gensvd: Rank of (H1,S1):      117
gensvd: Decimated states:     169
gensvd: Decimation from the left
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
libblas.so.3       00002B174D0DA380  Unknown               Unknown  Unknown
liblapack.so.3     00002B174CC2B35C  Unknown               Unknown  Unknown
liblapack.so.3     00002B174CC78B4C  Unknown               Unknown  Unknown
smeagol            000000000061548B  Unknown               Unknown  Unknown
smeagol            00000000005F6028  Unknown               Unknown  Unknown
smeagol            000000000065D65F  Unknown               Unknown  Unknown
smeagol            0000000000663F8D  Unknown               Unknown  Unknown
smeagol            0000000000599F0B  Unknown               Unknown  Unknown
smeagol            000000000040546C  Unknown               Unknown  Unknown
libc.so.6          00002B174D7A0586  Unknown               Unknown  Unknown
smeagol            0000000000405369  Unknown               Unknown  Unknown
--------------------------------------------------------------------------

Is this a problem about libraries?

Cheers,
Serhan

03 Nisan 2009 Cuma 13:50 tarihinde Ivan Rungger <runggeri at tcd.ie> yazdı:

> Hello Serhan,
>
>  smeagol can in principle be compiled with gfortran, but I don't know.
> The ifort compiler is surely the most used one, so with that one the
> code should work well. Anyway also to compile with gfortran it would be
> good to have compatible libraries preinstalled. If you compile the code
> in serial mode, than you can use the libraries provided in the
> smeagolpack directory, to do this just edit the Makefile accordingly
> (some lines have to be commented out, and some others commented I think).
>
> Can you please send the debug error message for the single zeta run, and
> also all the standard output file? Because the last debug error you sent
> clearly showed that the segmentation fault occurred when a large piece
> of memory was allocated. So if you resend the error message for the SZ
> run, we can see if there is the same problem. A note: just make sure
> that you set all the limits related to memory (especially the stack
> size) to unlimited in your shell when you run the code.
>
> Cheers,
>
>  Ivan
>
> Serhan Yamacli wrote:
> > Hi Ivan,
> >
> > I've used single zeta basis set but it gave the same error. Now, I'm
> > trying to install Smeagol again with gfortran compiler. Which
> > arch.make can I use with gfortran without any libraries installed to
> > the system?
> >
> > Cheers,
> > Serhan
> >
> >
> > 2009/4/3 Ivan Rungger <runggeri at tcd.ie <mailto:runggeri at tcd.ie>>
> > - Alıntı metni gizle -
> >
> > Hello Serhan,
> >
> >  Do you have the debugging error output for this run? I think it might
> > still be a memory issue. Did/Can you try to get the single zeta
> > calculation to run, because that should use a lot less memory?
> >
> > Cheers,
> >
> >  Ivan
>
>
> --
> =================================================
> Ivan Rungger,
>
> School of Physics and CRANN,
> Trinity College Dublin,
> Dublin 2,  IRELAND
> Phone: +353-1-8968454
> Email: runggeri at tcd.ie
> =================================================
>
>
>
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