The ABINIT Users Mailing List ( CLOSED )

[vinayak@ipr.res.in]

Regarding the ABINIT code, we wanted to get your comments on some of the
runtime issues
Dear ABINIT users

I'm trying to use the 4.5.2 version of the code.
Code was compiled using pgif90 compiler. But at the runtime the jobs are
getting launched fine and after sometime it throws the error as below

 pspatm: epsatm=    0.06052049
         --- l  ekb(1:nproj) -->
             0   -6.173171
             1  -23.886063
             3   -5.121104
 pspatm: atomic psp has been read  and splines computed

0: DEALLOCATE: memory at 0x7e979c0 not allocated
0: DEALLOCATE: memory at 0x7e979e0 not allocated
0: DEALLOCATE: memory at 0x7f06280 not allocated
0: DEALLOCATE: memory at 0x7f06260 not allocated
0: DEALLOCATE: memory at 0x7f06260 not allocated
0: DEALLOCATE: memory at 0x7f06270 not allocated
0: DEALLOCATE: memory at 0x7f06290 not allocated

This error comes only if we try to deallocate something which is not
allocated. I am wondering, whether the ABINIT code is complete (any patch
is required).. or have you ever faced similar problems.. any available
work around for this. This sounds like we have to identify the
corresponding deallocates in the code and eliminate those.
Let me know your comments on that.

regards
vinayak
vinayak@ipr.res.in