| 12:24:59 PM PDT - Thu, Aug 23rd 2012 |
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Hi there,
I am running NWChem in a very simple fashion. As I needed to get the Vxc matrix for my calculations I added "print debug" in the dft section of the input file.
It worked well for all the systems I needed so far (mostly atoms), but when I ran Neon it fails. I ran it without the "print debug" line and it finishes well. However, when I add the line the calculation Exits. I get the following lines at the end of the output file
0:0:nga_create_config:ga_set_data:wrong dimension specified:: 0
0:0:nga_create_config:ga_set_data:wrong dimension specified:: 0
Last System Error Message from Task 0:: Inappropriate ioctl for device
0: ARMCI aborting 0 (0).
0: ARMCI aborting 0 (0).
system error message: Inappropriate ioctl for device
Your help on this will be greatly appreciated.
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