The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@rc.m-kagaku.co.jp>]

Dear all,

"I'm back ... "
(imagine  "Terminator" on a car crashing into a police station ;-)

About the optimization tuning for v.5.3.4 on Itanium2/ifort(8.1),
I think that I have eliminated the source of the runtime errors
about v1/t55, t56, t57, t58, t71, t72, t73 ;  v4/t46.
In ~/.abinit/buiild/(hostname).ac, enable the following line
with_fc_optflags="-O3 -tpp2"
fcflags_opt_17suscep="-O2"

Marc, as you suggested, I looked into the test cases,
and thought that "iprcel" seemed fishy.
Then, I run the above tests with "# iprcel ..."(commented),
and had no runtime errors this time.
By grepping "iprcel", I decided to lower the optimization
levels for the source directories that containing "iprcel"
and the related keywords (i.e.  SCF preconditioning).
Some trials and errors, I have noticed that
only "17suscep" with "-O2" can be fine.

The lest things about  v2/t26, t27, t28,
v5/t09. t10. t21 will be checked soon...
(Just << fcflags_opt_16response="-O2" >>
 did not work ...)

The numerical difference was, i.e. from diff.t26
5888,5889c5875,5876
<     etotal4  -1.3302676449E-01
<     etotal5   9.7086339501E-07
---
>     etotal4   2.1145567276E-01
>     etotal5   9.7086341588E-07

"I'll be back" again,
Masayoshi

P.S. Marc, I had asked our administrator to install ifort 9.1...
(and not yet..., unfortunately... )

On 2007/05/17, at 6:34, marc.torrent@cea.fr wrote:

> Dear Masayoshi,
>
> I encountered several times problems as yours: Abinit crashes when  
> some agressive optimization levels are chosen, especially with pgui  
> compiler.
> It's generally complicated to find the source of the problem (at  
> which line Abinit crashes).
> I generally find ifort compiler more stable; did you test v9.1  
> instead of v8.1 ?
>
> Reading the list of your crashed tests, I'm pleased to see that  
> none of the PAW tests... except v5#t09 but it is testing the  
> "conducti" PAW feature...
> v5#t10 is supposed to use v5#09 output in the conducti post- 
> processor...
>
> You could have a look at the tests/v?/README files in order to find  
> what problematic tests have in common... and put "-O2" to selected  
> directories.
>
> "Asta la vista, baby",
> Marc