[Pw_forum] cp.x and lemieux TRU64 Alpha

Paolo Giannozzi giannozz at nest.sns.it
Tue Oct 26 18:40:02 CEST 2004

On Tuesday 26 October 2004 17:40, Yonas Abraham wrote:

> we took the same input parameter identical source code
> and run it in PGI compiler both 32 and 64 bit versions and
> intel on 32 bit machines and worked just fine [...]
> here is the snapshot of the ortho diff.
>  diff=    2.58117779926850       iter=            1
>  diff=    6.73012657805981       iter=            2

1) check for un-initialized variables, with the appropriate compiler 
flag, if any
2) restart from the same file on two different machines (both 64-bit: 
it is possible in principle, in practise I don't know), compare what 
ortho does in the two cases
3) if you cannot restart from the same file, try anyway to track
what ortho does in two calculations as similar as possible on 
different machines

Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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