[Beowulf] g03 and centos 3.6

Joe Landman landman at scalableinformatics.com
Tue Jun 13 09:14:24 EDT 2006


Hi Mike:

  You hit a segfault.  What options did you use with GO3?  The last
build we worked on with a customer that we had to restrict it to -O2
-Mnosse or something like this.  Try to compile/link with -g to see if
you can include symbols, and force a core dump so you can work backwards
from there.

  Also, what does your "ulimit -a" report (or limit for the tcsh folks).

Joe

Mike Davis wrote:
> Hey Everyone,
> 
> I asked back in January about G03 running on platforms other than SuSe.
> Thanks to everyone who responded. Now I'm trying to compile G03 D02 with
> pgi 6 on Centos 3.5.
> 
> The good news is that it compiles. It generates the needed 80 .exe
> files. G03 generates output.
> 
> The bad news is that every run fails at the same point.
> 
> 
> IExCor=   0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX=  1.000000
>  ScaDFX=  1.000000  1.000000  1.000000  1.000000
>  IRadAn=      0 IRanWt=     -1 IRanGd=            0 ICorTp=0
>  NAtoms=   40 NActive=   40 NUniq=   40 SFac= 7.50D-01 NAtFMM=   80
> NAOKFM=F Big=F
>  Leave Link  301 at Thu Jun  8 15:06:59 2006, MaxMem=   20000000 cpu:
>      0.0
>  (Enter /usr/global/g03/l302.exe)
>  NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=
>      1
>          NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
>  One-electron integrals computed using PRISM.
> 
> 
> 
> After that nothing... Below is an strace.
> 
> 
> strace:
> 
> [pid 10461] write(1, " One-electron integrals computed"..., 46) = 46
> [pid 10461] --- SIGSEGV (Segmentation fault) @ 0 (0) ---
> Process 10460 resumed
> Process 10461 detached
> <... wait4 resumed> [{WIFSIGNALED(s) && WTERMSIG(s) == SIGSEGV}], 0,
> NULL) = 10461
> rt_sigaction(SIGINT, {SIG_DFL}, NULL, 8) = 0
> rt_sigaction(SIGQUIT, {SIG_DFL}, NULL, 8) = 0
> rt_sigprocmask(SIG_SETMASK, [RTMIN], NULL, 8) = 0
> --- SIGCHLD (Child exited) @ 0 (0) ---
> stat("/home/jmdavis/Gau-10460.inp", {st_mode=S_IFREG|0664, st_size=3980,
> ...}) = 0
> unlink("/home/jmdavis/Gau-10460.inp")   = 0
> munmap(0x2a9566d000, 4096)              = 0
> exit_group(1)                           = ?
> 
> David Hibbs in Australia was having a similar problem but I can't find
> any answers to his query.
> 
> 
> Mike Davis
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-- 
Joseph Landman, Ph.D
Founder and CEO
Scalable Informatics LLC,
email: landman at scalableinformatics.com
web  : http://www.scalableinformatics.com
phone: +1 734 786 8423
fax  : +1 734 786 8452 or +1 866 888 3112
cell : +1 734 612 4615
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