[Pw_forum] error in mp module

[Paul Tangney]

Hi everyone,

There was a post about this error on January 18th but
I don't see a solution posted. I am now getting an identical error.
When I run the attached input (on an IBM SP3) I get :

/ NEW-OLD atomic charge density approx. for the potential/
/*** error in Message Passing (mp) module ***/
/*** error code: 8912


/This happens between ionic steps of a BFGS structural relaxation.
/
/I looked at the code, and I think what it tells me is that
a parameter mp_msgsiz_max  (=100000000) is being
exceeded. Maybe the amount of information that needs to
be passed between processors is too big ?  Should I just
increase this parameter and recompile ?
(or will this blow a fuse ? )

Thanks for any help!

Paul



P.S. Grazie  Gerardo & Yingwen for your help with my last question.
I got sidetracked and I still haven't compiled on my Opteron but I will
post my solution when I do.



__________________________________________


 &CONTROL
                       title = 'water' ,
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = 
'/home1/u9/tangney/Water/PWSCF/Configurations/Monomer/Test',
                  pseudo_dir = '/home1/u9/tangney/Water/PWSCF',
                     disk_io = 'high' ,
                   verbosity = 'high' ,
                      iprint = 1 ,
                       nstep = 200 ,
                     tstress = .true. ,
                     tprnfor = .true. ,
                   forc_conv_thr=1.0d-5,
 /
 &SYSTEM
                       ibrav = 1,
                   celldm(1) = 40.0,
                         nat = 3,
                        ntyp = 2,
                     ecutwfc = 85.0d0,
                       nosym = .true. ,
                        nbnd = 10,
                       nelec = 8,
 /
 &ELECTRONS
            electron_maxstep = 200,
                 startingwfc = 'random' ,
                 conv_thr = 1.0d-12,
 /
 &IONS
                ion_dynamics = 'bfgs' ,
 /
ATOMIC_SPECIES
    O   16.00000  O.blyp.upf
    H    1.00000  h.ps.upf
ATOMIC_POSITIONS bohr
    O    -14.627030000   -2.682920000   -3.082660000   
    H    -13.707290000   -1.368870000   -2.037010000   
    H    -13.472600000   -3.918840000   -3.916950000   
K_POINTS automatic
  1 1 1   0 0 0





/
/


-- 
ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo
Dr. Paul Tangney                                                 
Theory of Nanostructured Materials Facility                     
The Molecular Foundry                                            
Lawrence Berkeley National Lab.         E-mail: PTTangney at lbl.gov
1 Cyclotron Road, Bldg 66               Phone: (510) 642-2635   
Berkeley, CA 94720                      Fax :  (510) 643-9345    
ooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooooo

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