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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