[Pw_forum] pp freezes

Silviu Zilberman silviu at Princeton.EDU
Sun Sep 25 15:01:01 CEST 2005


Hi,

I've tried to play with the latest (cvs) version of pp.x, that 
incorporates chdens.x.

The first step (corresponding to the original pp.x) seems to work 
properly, but the second phase (the chdens phase) halts without exiting. 
Below are the input and output files. I use two processors on a single 
AMD opteron node, intel V8 compiler. Is there anything wrong in the way 
I use the code?

Thanks, Silviu.

---------------------------------------------------------------------------------------------
INPUT FILE:

 &INPUTPP
                      prefix = 'DTNH_CO_hbond' ,
                      outdir = '/pvfs/silviu/' ,
                     filplot = '/pvfs/silviu/DTNH23u.den' ,
                    plot_num = 7,
                      kpoint = 1,
                       kband = 23,
                       lsign = .true. ,
 /
 &PLOT
                   filepp(1) = '/pvfs/silviu/DTNH23u.den' ,
                   weight(1) = 1.0 ,
                       iflag = 3 ,
               output_format = 5 ,
                     fileout = '/pvfs/silviu/DTNH23u.xsf' ,
 /

---------------------------------------------------------------------------------------------
OUTPUT FILE:

     Program POST-PROC v.3.0    starts ...
     Today is 25Sep2005 at  6:57:28

     Parallel version (MPI)

     Number of processors in use:       2
     R & G space division:  proc/pool =    2

     Reading file DTNH_CO_hbond.save ...      only dimensions
     read complete

     Reading file DTNH_CO_hbond.save ...      all except wavefuctions
     read complete

     Planes per process (thick) : nr3 =144 npp =  72 ncplane =20736

     Planes per process (smooth): nr3s= 90 npps=  45 ncplanes= 8100

 Proc/  planes cols    G   planes cols    G    columns  G
 Pool       (dense grid)      (smooth grid)   (wavefct grid)
  1     72   7457 685745   45   2987 173525  739  21689
  2     72   7456 685736   45   2986 173446  742  21698
  0    144  149131371481   90   5973 346971 1481  43387


     nbndx  =    68  nbnd   =    68  natomwfc =   111  npwx   =   10845
     nelec  = 135.00  nkb   =   227  ngl    =    3959

     Calling punch_plot, plot_num =   7
     Writing data to file  /pvfs/silviu/DTNH23u.den
     Reading header from file  /pvfs/silviu/DTNH23u.den

-------------- next part --------------
A non-text attachment was scrubbed...
Name: silviu.vcf
Type: text/x-vcard
Size: 272 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20050925/fab4bb48/attachment.vcf>


More information about the users mailing list