MemoryError: std::bad_alloc

[Shovan-Physics]

In some cases I get the following error:

Traceback (most recent call last):
  File "/scratch/shovand/223891/block2_AFM_Networks.py", line 78, in <module>
    driver = DMRGDriver(scratch="./tmp", symm_type=SymmetryTypes.SU2, stack_mem=int(stackGB * 10**9))
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/shovand/projects/pythonenv/lib/python3.11/site-packages/pyblock2/driver/core.py", line 638, in __init__
    self.symm_type = symm_type
    ^^^^^^^^^^^^^^
  File "/home/shovand/projects/pythonenv/lib/python3.11/site-packages/pyblock2/driver/core.py", line 671, in symm_type
    self.set_symm_type(symm_type)
  File "/home/shovand/projects/pythonenv/lib/python3.11/site-packages/pyblock2/driver/core.py", line 725, in set_symm_type
    bw.b.Global.frame = bw.b.DoubleDataFrame(
                        ^^^^^^^^^^^^^^^^^^^^^
MemoryError: std::bad_alloc

Just wondering if this is running out of RAM or stack memory, or something else? (I'm using a scratch filesystem.)

[hczhai]

As I explained in #129 (comment), you may set the stack_mem to some reasonable large value, it does not mean that you should set stack_mem to an arbitrarily large value. For example, if you run 16 jobs in a node, and the node has 256 GB free memory in total, the stack_mem for each job should not exceed 256 / 16 = 16 GB.

[Shovan-Physics]

Thanks. I was not using RAM for stack_mem, but I suppose you mean the disk space for the scratch filesystem.