From NWChem
Viewed 296 times, With a total of 1 Posts
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Threads 8
Posts 11
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| 6:06:15 AM PDT - Sat, Apr 23rd 2016 |
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Hello,
I have been calculating raman frequencies, but then when i try to identify the vibrational modes these correspond to by adding,
...
vib
reuse
animate
end
task dft optimize
task dft raman
task dft freq
The first part runs fine, I get all the freq-m* files, but then the animate option is giving me problems:
vib:animation T
could not open
file
------------------------------------------------------------------------
vib_modestep: fatal error 911
------------------------------------------------------------------------
An error occured while trying to read or write to disk space
------------------------------------------------------------------------
would anyone know how to correct this.
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 7
Posts 1294
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| 11:52:02 AM PDT - Mon, Apr 25th 2016 |
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directory location of permanent files
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Did you set the value of pemanent_dir, so that files generated from previous runs are accessible?
http://www.nwchem-sw.org/index.php/Release66:Top-level#PERMANENT_DIR
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