TURBOMOLE Users Forum

TURBOMOLE Modules => Aoforce and Numforce => Topic started by: basklau on June 03, 2009, 03:59:22 PM

Title: aoforce produces segmentations fault
Post by: basklau on June 03, 2009, 03:59:22 PM

Hi!

Since the update to TM 6.0 aoforce runs into a segmentation fault whenever I run a calculation with my 87 mode having molecule. I set the maxcor to 25 % of the available memory on a quad-core x86_64 machine. When I reduce the maxcor value the problem still occurs! When I run the same calculation on a em64t machine the calculation runs fine! The segmentation fault is produced when "treating exchange-correlation contribution" !

Thanks for any help

basklau

Title: Re: aoforce produces segmentations fault
Post by: scope on June 05, 2009, 02:38:59 PM

We have the same problem here. The same jobs run fine on emt64 nodes and crash only on Opterons. It happens with and without RI, no matter how large the maxcor. I can supply input, aoforce output and stdout if needed.

Cheers
nils

Title: Re: aoforce produces segmentations fault
Post by: scope on June 16, 2009, 10:36:00 AM

Can we get some comment on this ? Half my machines are x86_64 and I have lots of users who run aoforce all the time.

Thanks and cheers
nils

Title: Re: aoforce produces segmentations fault
Post by: uwe on June 16, 2009, 04:23:18 PM

Hi,

we are working on it. Meanwhile we have received bug reports about aoforce on Opteron systems a few times (thanks to all users for sending us the reports, output files and the possibility to debug that on their own systems !!).

Currently it looks like a problem with memory allocation routines of the compiler that we have used for Turbomole version 6.0 on AMD64 systems.

Did anyone check the memory usage or accidentally ran top while aoforce crashed? Is there a message in /var/log/warnings or /var/log/messages ?

Sorry, but debugging a problem that occurs only after several hours of run time is a little bit time consuming...

Regards,

Uwe

Title: Re: aoforce produces segmentations fault
Post by: uwe on June 17, 2009, 09:05:28 PM

Hi,

to all users who had problems with aoforce of Turbomole version 6.0 on AMD CPUs:

There is a new version of aoforce available from the Turbomole support which does not crash on certain types of AMD CPUs any more (it seems that only certain CPU types are affected).

Please contact the Turbomole Support team to get this new version, and please send the output of 'cat /proc/cpuinfo' by email too. Those who have sent a bug report got the new binary by email already.

Regards,

Uwe

Title: Re: aoforce produces segmentations fault
Post by: basklau on June 18, 2009, 03:55:48 PM

Thanks for help!

basklau