[Pw_forum] Espresso and OpenMPI

[Konstantin Kudin]

 Has anyone tried QE-3.0 with OpenMPI ?

 Both QE-3.0 and the latest CVS compiled with either OpenMPI 1.0.1 or
the latest CVS snapshot [1.0.2a4r8848] give the error below.

 Kostya


forrtl: Input/output error
forrtl: severe (39): error during read, unit 5, file /dev/ptmx
Image              PC                Routine            Line       
Source 
cp.x               000000000084931F  Unknown               Unknown 
Unknown
cp.x               0000000000846EDE  Unknown               Unknown 
Unknown
cp.x               000000000082BD52  Unknown               Unknown 
Unknown
cp.x               00000000007E89E5  Unknown               Unknown 
Unknown
cp.x               00000000007E863E  Unknown               Unknown 
Unknown
cp.x               00000000008052C2  Unknown               Unknown 
Unknown
cp.x               00000000006F96EE  Unknown               Unknown 
Unknown
cp.x               000000000070994D  Unknown               Unknown 
Unknown
cp.x               00000000004F09D7  Unknown               Unknown 
Unknown
cp.x               000000000043BA2C  Unknown               Unknown 
Unknown
cp.x               000000000043B976  Unknown               Unknown 
Unknown
libc.so.6          0000002A9731A197  Unknown               Unknown 
Unknown
cp.x               000000000043B8AA  Unknown               Unknown 
Unknown


--- Miguel Martinez <wmbmacam at lg.ehu.es> wrote:

> Hi all,
> 
> This is from Doc/INOUT_PW
> ....
> press          REAL ( default = 0.D0 )
>                 target pressure [KBar] in a variable-cell md
> simulation
> ....
> 
> But, as Paolo suggested, vc-relax does work for finite pressures. 
> Additionally, the system doesn't oscillate undamped. However, I found
> 
> INPUT_PW a bit misleading. If this part of the code isn't removed,
> could 
> the readme be changed to reflect that both vc-relax and vc-md support
> 
> finite-pressure?
> 
> Thanks again for your help,
> 
> Miguel
> 
> -- 
> ----------------------------------------
> Miguel Martínez Canales
> Dto. Física de la Materia Condensada
> UPV/EHU
> Facultad de Ciencia y Tecnología
> Apdo. 644
> 48080 Bilbao (Spain)
> Fax:  +34 94 601 3500
> Tlf:  +34 94 601 5437
> ----------------------------------------
> 
>   "UNIX was not designed to stop its users from doing
>   stupid things, as that would also stop them from
>   doing clever things."
> 
> Doug Gwyn
> 
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> 


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