Itanium2/ DSYMV and DGEMV problem

Ludger Palm Ludger.Palm at lrz-muenchen.de
Wed Oct 8 14:41:31 BST 2003


Dear colleagues,

I also hit the problem related to DSYMV and DGEMV:

I could compile and link MOLPRO 2002.6 on our IA64 and the line
LIBS="-lz -Vaxlib -lcrypt -L/usr/lib/gcc-lib/ia64-redhat-linux/2.96
-lg2c"
is in CONFIG.
Nevertheless, when executing molpro, I get the output:

-----------------------------------

 ***,h2o, lptest
 memory,20,m
 r=1.85,theta=104
 geometry={
 O;
 H1,O,r;
 H2,O,r,H1,theta
 }
                                                                                
!gdirect
 basis=sto-3g
 hf
...

 Installed patches: cidps_orthp configure_xeon dft_orbital_hi
enest_dummy fujitsu_conf fujitsu-ssl2
                    ga_conflict2 ia64root_check merge_orbdom mkl60
modelopt molden_orbital_normalization
                    mpputil mxm_fujitsu nec_parse opteron2
patcher_printf posinp
                    readop_multipole_np sun_forte8
...
 NUCLEAR REPULSION ENERGY    8.99162654


 ? Error
 ? failure in dsyev
 ? The problem occurs in diag2

 ERROR EXIT
 CURRENT STACK:      MAIN

------------------------------------

Does anybody know, how to solve this problem?

Matt Hodges schrieb:
> 
> >>>>> Jacek Klos writes:
> 
>  > I don't have such a library libg2c.so in /usr/lib. What I have
>  > found only is /usr/lib/gcc-lib/ia64-redhat-linux/2.96/libg2c.a
> 
> I'm not a RedHat user, so I don't know if this is provided by a
> package that you don't have installed.
> 
>  > I would have to add in LIBS
>  > -L/usr/lib/gcc-lib/ia64-redhat-linux/2.96 -lg2c ?
> 
> I think this should be OK.
> 
> Matt

-- 

Yours sincerely / Mit freundlichen Gruessen
+---------------------------------------------------------------------+
| Dr. Ludger Palm                         | Phone: +(0)89-289-28792   |
| Leibniz-Rechenzentrum der               | Fax:   +(0)89-2809460     |
| Bayerischen Akademie der Wissenschaften | Email: palm at lrz.de        |
| - High Performance Computing Group -    |                           |
| Barer Strasse 21                        |                           |
| 80333 Muenchen                          | WWW: http://www.lrz.de    |
| Germany                                 | Hotline: +(0)89-289-28800 |
+---------------------------------------------------------------------+



More information about the Molpro-user mailing list