The ABINIT Users Mailing List ( CLOSED )

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

Dear all,

When I run large jobs with v.5.3.4, I noticed that
it takes much longer time than before (e.g. v.5.2.4).
So, I checked with tests_cpu (on MacOSX/Tiger/gfortran
... keeping the same situation), and noticed something.
(kindly take a look below my signature)
This is just an accident only in my place ?
(if so, sorry for this post...)

(BTW, the reference data seemingly remain the same ... ?)

Cheers,
Masayoshi

for example, diff_B6 in v.5.2.4 (the last part)
-------------------------------------------
116,123c116,123
< - fourwf(pot)            2.120        48      44.167    
1769472       0.025
< - fourwf(den)            0.240         8      30.000     
884736       0.034
< - fourdp                 1.520        23      66.087     
884736       0.075
< - nonlop(apply)          0.290        48       6.042     
113238       0.053
< - nonlop(forces)         0.000         8       0.000     
113238       0.000
< - nonlop(forstr)         0.000         4       0.000     
113238       0.000
< - projbd                 0.210        64       3.281     
226476       0.014
< - xc:pot/=fourdp         1.060         3     353.333     
884736       0.399
---
> - fourwf(pot)            7.262        48     151.286    
1769472       0.085
> - fourwf(den)            0.684         8      85.449     
884736       0.097
> - fourdp                 4.881        23     212.211     
884736       0.240
> - nonlop(apply)          0.570        48      11.881     
113238       0.105
> - nonlop(forces)         0.105         8      13.184     
113238       0.116
> - nonlop(stress)         0.104         4      25.879     
113238       0.229
> - projbd                 0.223        64       3.479     
226476       0.015
> - xc:pot/=fourdp         2.299         3     766.276     
884736       0.866
125c125
< +Overall time at end (sec) : cpu=          8.0  wall=         12.6
---
> +Overall time at end (sec) : cpu=         20.7  wall=         20.7
-------------------------------------------

On the other hand, diff_B6 in v.5.3.4
-------------------------------------------
116,123c116,123
< - fourwf(pot)            3.232        48      67.333    
1769472       0.038
< - fourwf(den)            0.311         8      38.875     
884736       0.044
< - fourdp                 2.968        23     129.043     
884736       0.146
< - nonlop(apply)          0.354        48       7.375     
113238       0.065
< - nonlop(forces)         0.047         8       5.875     
113238       0.052
< - nonlop(forstr)         0.038         4       9.500     
113238       0.084
< - projbd                 0.160        64       2.500     
226476       0.011
< - xc:pot/=fourdp         2.364         3     788.000     
884736       0.891
---
> - fourwf(pot)            7.262        48     151.286    
1769472       0.085
> - fourwf(den)            0.684         8      85.449     
884736       0.097
> - fourdp                 4.881        23     212.211     
884736       0.240
> - nonlop(apply)          0.570        48      11.881     
113238       0.105
> - nonlop(forces)         0.105         8      13.184     
113238       0.116
> - nonlop(stress)         0.104         4      25.879     
113238       0.229
> - projbd                 0.223        64       3.479     
226476       0.015
> - xc:pot/=fourdp         2.299         3     766.276     
884736       0.866
125c125
< +Overall time at end (sec) : cpu=         13.7  wall=         13.7
---
> +Overall time at end (sec) : cpu=         20.7  wall=         20.7
-------------------------------------------