From NWChem
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| 9:45:43 PM PDT - Sun, Apr 15th 2012 |
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Hello everyone,
I met a question when I ran a program for dft optimize, The following is the reason why the program stops:
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ga_get2eri: cannot allocate scr 2
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current input line :
31: task qmmm dft optimize
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I just don't know how to solve the problem, maybe you can help me.
Thanks for your attention. Any suggestion will be appreciated.
Cui Wang
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Regular
Threads 1
Posts 266
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| 9:46:32 AM PDT - Mon, Apr 16th 2012 |
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Need to increase memory line
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Cui Wang,
You need to increase the memory line, e.g.
memory 1200 mb
Edo
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Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Gets Around
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| 10:34:57 AM PDT - Mon, Apr 16th 2012 |
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Hi Cui,
We addressed another issue related to this in NWChem 6.1. Are you using NWChem 6.0 or NWChem 6.1 ?
Best,
-Niri
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| 6:39:10 PM PDT - Mon, Apr 16th 2012 |
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Quote:Edoapra Apr 16th 4:46 pmCui Wang,
You need to increase the memory line, e.g.
memory 1200 mb
Edo
Thanks very much, I have solved the problem according to your suggestion.
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Clicked A Few Times
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| 6:50:38 PM PDT - Mon, Apr 16th 2012 |
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Quote:Niri Apr 16th 5:34 pmHi Cui,
We addressed another issue related to this in NWChem 6.1. Are you using NWChem 6.0 or NWChem 6.1 ?
Best,
-Niri
Hi Niri,
I am using NWChem 6.0, Maybe I should pay attention to the changes in NWChem 6.1 compared with
NWChem 6.0. Thanks very much.
Cui
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