available GA memory not enough?


Clicked A Few Times
Dear all,

I am using nwchem-6.6. I got the following error. It says the available GA memory is 729192872 bytes and it is trying to create ga of size 957293768. Then I got the error. How can I solve this issue? (e.g. how can I enlarge available ga memory?) Thanks.

v2    file size   =         39892107
4-index algorithm nr. 13 is used
imaxsize = 40
imaxsize ichop = 0
available GA memory 729192872 bytes
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createfile: failed ga_create size/nproc bytes 957293768
------------------------------------------------------------------------
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current input line :
44: task tce energy
------------------------------------------------------------------------
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation


For further details see manual section:




0:createfile: failed ga_create size/nproc bytes:Received an Error in Communication


MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0
with errorcode 957293768.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

Forum Regular
Use the memory keyword http://nwchemgit.github.io/index.php/Release66:Top-level#MEMORY

Memory for GAs is controlled by the global option so you either need to increase the total memory if possible, or change the distribution of memory between stack, heap, and global. For the majority of routines in NWChem, you do not need a lot of heap space so you could easily move memory from heap to global.

Clicked A Few Times
Hi Sean,

Thanks, that's what I want.
Bobo


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