vrange nnbf - Out of memory events?

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Sorry for the late answer.

My input section is:

memory 3000 mb


NWchem seem to recognize this and gives this output:

         Memory information
           ------------------

    heap     =   98303996 doubles =    750.0 Mbytes
    stack    =   98304001 doubles =    750.0 Mbytes
    global   =  196608000 doubles =   1500.0 Mbytes (distinct from heap & stack)
    total    =  393215997 doubles =   3000.0 Mbytes
    verify   = yes
    hardfail = no 


And this failed with:
n16-025: kernel Killed process 15178, UID 71897, (nwchem) total-vm 6344264kB, anon-rss 3489356kB, file-rss 138232kB



I have the same problem if I don't specify and I use the default which is:
           Memory information
           ------------------

    heap     =  100663290 doubles =    768.0 Mbytes
    stack    =  100663295 doubles =    768.0 Mbytes
    global   =  201326592 doubles =   1536.0 Mbytes (distinct from heap & stack)
    total    =  402653177 doubles =   3072.0 Mbytes
    verify   = yes
    hardfail = no 


I will try the suggested setting.


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