Hi,
On Sun, 16 May 2004, Do Anh Tuan wrote:
> I have compiled Amber8 with ifort on Redhat AS 3.0. Everything may be OK.
> But the testing of Amber8 has an error.
> ==============================================================
> cd qmmm/divcon; ./Run.crambin
> Segmentation fault
> ./Run.crambin: Program error
> make: *** [test.sander.QMMM] Error 1
>
> Can you tell me what is wrong in this case ?
Not in any detail; the tail of the output file might have been useful.
A goggle search of Run.crambin would have found some clues.
I repost a couple of points to underscore their importance in Amber8.
On Wed, 7 Apr 2004, [iso-8859-1] Alessio Comisso wrote:
> I'm tryng to install Amber 8 on a p4 with fedora core 1
> and Intel Ifort 8 and Mkl 6.1. Installation is
....
> ./Run.crambin: Program error
> make: *** [test.sander.QMMM] Error 1
....
2.
On the other hand sander.QMMM has a big memory footprint;
for example, it won't execute on an old SGI octane with 128M:
cd qmmm/divcon; ./Run.crambin
Killed
./Run.crambin: Program error
It may be that your machine doesn't have enough free memory or
that your resource limits are too restrictive.
************************************************************
3. General notice: Beware of resource limits with Amber8
************************************************************
The conversion of some executables to Fortran 90 in Amber 8
has been known to cause strange failures which we believe are due
to automatic array usage.
Apparently, some compilers do not create code to detect stack overruns,
and a stack overrun may cause a segmentation violation, etc.
One can try to increase ones limits with unlimit or limit:
unlimit
Sets your user limits to the maximums.
limit datasize unlimited
limit stacksize unlimited
limit memoryuse unlimited
Increases the individual limits.
Scott Brozell
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Received on Mon May 17 2004 - 00:52:59 PDT
