[Pw_forum] Error encountered while attempting to allocate a data object.

[Konstantin Kudin]

 Hi there

 I am trying to run a job with 128 Mg atoms and no
symmetry. I request that the gamma point is used for
the K space grid.

 When I run memory.x, I get the following estimates:
     Number of processors/pools:   1   1
     Estimated Max memory (Gamma-only code):  
941.62Mb
     nonscalable memory =   30.51Mb
        scalable memory =  768.65Mb
     nonscalable wspace =   70.90Mb
        scalable wspace =   71.55Mb   (diag:
-663.26Mb, mix:   71.55Mb)

 It looks like the amount of memory for "diag:" got
wrapped around the 32-bit limit and became negative.
At least, I get numbers without "-" for really small
jobs.
The other numbers look reasonable.

 Then when I actually run pw.x, I get the error:
1525-108 Error encountered while attempting to
allocate a data object.  The program will stop.

 I tried to run the code both under 32-bit linux on a
computer with 2Gb of RAM, and also on an IBM with 2Gb
of RAM. The same problem happens on both machines.

 I lowered the PW cutoff from 28.0 to 15.0, and also
used "diago_david_ndim=2", and then I got from
memory.x:
     Estimated Max memory (Gamma-only code): 
1739.87Mb
     nonscalable memory =   28.41Mb
        scalable memory =  300.81Mb
     nonscalable wspace =   64.66Mb
        scalable wspace = 1345.99Mb   (diag:
1345.99Mb, mix:   28.10Mb)

 Well, pw.x still gives the same error.

 Can anyone shed some light on what is going on here
and what is a possible workaround?

 Thanks!

 Kostya
 
  



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