Joe,

Thank you. ulimit -a is unlimited.

I will need to look at the Makefile to check the stuff.

Mike Davis


Joe Landman wrote:
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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