The ABINIT Users Mailing List ( CLOSED )

["Sergei Lisenkov" <proffess@yandex.ru>]

Dear Artem and ABINIT users/authors,

I try to run ABINIT on HP for calculations of my systems. I created ther 
input file 
with multidataset mode. But I got the next message :

......

 iofn2 : deduce lmnmax  =   4, lnmax  =   2,
                lmnmaxso=   4, lnmaxso=   2.
 memory : analysis of memory needs
================================================================================
 Values of the parameters that define the memory need for DATASET  1.
   intxc =         0  ionmov =         3    iscf =         5     ixc =        
 1
  lmnmax =         2   lnmax =         2   mband =       183  mffmem =        
 1
P  mgfft =       180   mkmem =         1 mpssoang=         3     mpw =    
186611
  mqgrid =      1201   natom =        91    nfft =   5832000    nkpt =        
 1
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =        
 1
    nsym =         1  n1xccc =      2501  ntypat =         5  occopt =        
 1
================================================================================
P This job should need less than                    1678.462 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
  WF disk file :    521.087 Mbytes ; DEN or POT disk file :     44.497 Mbytes.
================================================================================

 Biggest array : cg(disk), with    521.0868 MBytes.
-P-0000  leave_test : synchronization done...
-P-0000  leave_test : exiting...

in serial mode, and

.....


 iofn2 : deduce lmnmax  =   4, lnmax  =   2,
                lmnmaxso=   4, lnmaxso=   2.
 memory : analysis of memory needs
================================================================================
 Values of the parameters that define the memory need for DATASET  1.
   intxc =         0  ionmov =         3    iscf =         5     ixc =        
 1
  lmnmax =         2   lnmax =         2   mband =       183  mffmem =        
 1
P  mgfft =       180   mkmem =         1 mpssoang=         3     mpw =    
186611
  mqgrid =      1201   natom =        91    nfft =   5832000    nkpt =        
 1
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =        
 1
    nsym =         1  n1xccc =      2501  ntypat =         5  occopt =        
 1
================================================================================
P This job should need less than                    1678.462 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
  WF disk file :    521.087 Mbytes ; DEN or POT disk file :     44.497 Mbytes.
================================================================================

 Biggest array : cg(disk), with    521.0868 MBytes.
-P-0000  leave_test : synchronization done...
-P-0000  leave_test : exiting...

in parallel mode. I see there is a memory problem. But, I have 64Gb memory. 
Where is
a problem? I compiled the code in 64-bit mode, I have a full access in all 
memory.

Any hints?

Thanks a lot,
 Best wishes,
  Sergey