The ABINIT Users Mailing List ( CLOSED )

["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

Has anyone had any experience using the latest abinit with gfortran ?

My binaries are painfully slow even with acml.

t01.out in Tests/v1 has this routine result line taking 16 seconds to 
finish. I'm almost certain this did not happen with the last version of 
abinit where the timings were competitive with the reference outputs.


-----
- For major independent code sections, cpu and wall times (sec),
- as well as % of the total time and number of calls

- routine                 cpu     %       wall     %      number of calls
-                                                          (-1=no count)
- fourwf(pot)            0.000   NaN      0.159   1.0            320
- abinit(2)              0.000   NaN      0.156   1.0              1
- timing timab           0.000   NaN     14.172  87.4             20
- invars2                0.000   NaN      0.141   0.9              1
- 62   others            0.000   NaN      0.606   3.7

- subtotal               0.000   NaN     15.234  93.9

================================================================================

 Calculation completed.
.Delivered    1 WARNINGs and   1 COMMENTs to log file.
+Overall time at end (sec) : cpu=          0.0  wall=         16.2



--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--