[Smeagol-discuss] segmentation fault

[Ivan Rungger]

Hello Serhan,
 
   it might still be a problem of memory. Using different compilers will
change a bit the way the memory space is allocated, but at the end of
the day if one runs out of memory it is likely that also the other one
runs out of memory. So probably the newly compiled code allocates memory
in a somewhat more efficient way, but at the end it also runs out of
memory. There might also be library problems, but in this case I think
it is still the memory.

Cheers,

 Ivan

Serhan Yamacli wrote:
> 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
> <mailto: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>
>     <mailto: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 <mailto:runggeri at tcd.ie>
>     =================================================
>
>
>


-- 
=================================================
Ivan Rungger,

School of Physics and CRANN,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-8968454  
Email: runggeri at tcd.ie
=================================================