[Smeagol-discuss] compiling siesta in parallel

[Jimmy Tang]

Hi Sushil,

Excerpts from Sushil Auluck's message of Tue Mar 11 07:30:33 +0000 2008:
> 
> thanks for your imput. now i am using mpich-1.2.6 and
> i can see siesta running on 2/4/8 nodes but it bombs out
> .........enclosed is what i see on the screen....
> 
> *******************************************************************************
> [slakxncf at master SiH]$ mpirun -n 8 ../../Src/siesta < sih.fdf > ut8
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        
> Source                                                                         
>       
> 
> siesta             0000000000F67093  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> siesta             0000000000F6706F  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        
> Source                                                                         
>       
> 
> siesta             0000000000F67093  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> siesta             0000000000F6706F  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        
> Source                                                                         
>       
> 
> siesta             0000000000F67093  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> siesta             0000000000F6706F  Unknown               Unknown  Unknown
> libpthread.so.0    0000003D9920C320  Unknown               Unknown  Unknown
> *************************************************************************
> when i do ldd siesta i see...........................................
> 
> [slakxncf at master Src]$ ldd siesta
>         libguide.so => /opt/intel/fce/10.0.023/lib/libguide.so 
> (0x0000002a95557000)
>         libmkl_lapack.so => /lib64/libmkl_lapack.so (0x0000002a956e8000)
>         librt.so.1 => /lib64/tls/librt.so.1 (0x0000003d9dc00000)
>         libsvml.so => /opt/intel/fce/10.0.023/lib/libsvml.so 
> (0x0000002a95e27000)
>         libmkl_core.so => /lib64/libmkl_core.so (0x0000002a95fa9000)
>         libpthread.so.0 => /lib64/tls/libpthread.so.0 (0x0000003d99200000)
>         libuuid.so.1 => /lib64/libuuid.so.1 (0x0000003450100000)
>         libm.so.6 => /lib64/tls/libm.so.6 (0x0000003d98a00000)
>         libc.so.6 => /lib64/tls/libc.so.6 (0x0000003d98700000)
>         libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x0000003d9ae00000)
>         libdl.so.2 => /lib64/libdl.so.2 (0x0000003d98500000)
>         /lib64/ld-linux-x86-64.so.2 (0x0000003d98300000)
> ********************************************************************************
> ****-- 
> 
> i am also enclosing arch.make and the output file ut8 for 8 nodes.
> there is an error in ut8 which shows up after a second or so......
> ...please read it...sorry for troubling you...but i do want to get
> siesta running in parallel....
> 

another user came across a similar problem at this point, Ivan provided
a sample set of makefiles that seemed to help the other user,

http://lists.tchpc.tcd.ie/pipermail/smeagol-discuss/2008-February/000376.html

I think the other user had mismatched compiler and mkl versions which
caused problems, you may be experiencing the same problem.


Jimmy.


-- 
Jimmy Tang
Trinity Centre for High Performance Computing,
Lloyd Building, Trinity College Dublin, Dublin 2, Ireland.
http://www.tchpc.tcd.ie/ | http://www.tchpc.tcd.ie/~jtang