[Wien] problem in ORB using IFORT 10.1.x

[Gerhard Fecher]

which small version ?
which mkl ?

Ciao
Gerhard

PS.: presently I am using only ifort 10.0 and mkl 9.1 for calculations, seems to be much more stable.

________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Rossitza Pentcheva [Rossitza.Pentcheva at lrz.uni-muenchen.de]
Gesendet: Donnerstag, 14. Februar 2008 11:10
An: A Mailing list for WIEN2k users
Betreff: [Wien]  problem in ORB using IFORT 10.1.x

Dear wien users,

I have noticed a problem with orb, generated with ifort 10.1: *vorbup
and *vordn are (nearly) empty.
On the other hand, with ifort 10.0 everything seems to be fine.
Regards,
Rossitza

Florent Boucher wrote:

>Dear Gerhard,
>I just want to come back to your previous message concerning IFORT 10.1.x
>I was able to reproduce exactly the same behavior (10.1.11). Do you have
>found something more on l2main to explain the problem or may be someone
>else ?
>Also, I am not so use to modify the makefile so if you did a specific
>modification for l2main in your make file, I will appreciate to have it.
>Regards
>Florent
>
>Gerhard Fecher a écrit :
>
>
>>This concerns Version 7.3 and 8.1 if compiled with IFORT 10.1.x
>>(SUSE, RED HAT, mkl 9.x, 10.x)
>>
>>A segmentation fault occurs if the optimization switches -O2, or higher are used.
>>traceback tells that it is in:
>>read_vec line 88:      READ(10,.....
>>
>>the segmentation fault disapperas if l2main.F is compiled with -O0, that is without
>>any optimization.
>>all others (including read_vec.F !!) can be still compiled with -O3
>>and processor specific optimizations (-xProcessor).
>>
>>The error appears with all 10.1.x versions of IFORT but not with 10.0.x
>>
>>Maybe its some uninitiallized or undeclared variable, however,
>>adding in l2main the missing declarations for variables passed to read_vec
>>did not help.
>>I could not find a faulty array, but may be I have missed something.
>>
>>Happy New Year
>>Gerhard
>>
>>Seems something similar (lapw2 compiled with -O0) was reported last month but stayed unresolved.
>>_______________________________________________
>>Wien mailing list
>>Wien at zeus.theochem.tuwien.ac.at
>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>>
>>
>>
>
>
>
>


--

Dr. Rossitza Pentcheva
Department of Earth and Environmental Sciences    phone: +49 89 2180 4352
Section Crystallography                 fax:   +49 89 2180 4334
Ludwig-Maximilians-University Munich    e-mail: pentcheva.at.lrz.uni-muenchen.de
Theresienstr. 41         80333 Munich
            www: http://www.krist.geo.uni-muenchen.de/ober/pentche.htm

--------------------key:1-0.0735-11600-23.05--------------------

_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien