FAQ
From NWChem
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| - | + | NWChem Frequently Asked Questions | |
| - | + | =General information about NWChem= | |
| - | + | ==Where is the User's Manual?== | |
[[NWChem_Documentation |'''NWChem User's Manual''']] | [[NWChem_Documentation |'''NWChem User's Manual''']] | ||
| - | + | ==Where do I go for help with a Global Arrays problem?== | |
If you have problems with compiling the tools directory, please visit the Global Arrays Google group at | If you have problems with compiling the tools directory, please visit the Global Arrays Google group at | ||
http://groups.google.com/group/hpctools or visit the Global Arrays website at http://hpc.pnl.gov/globalarrays/ | http://groups.google.com/group/hpctools or visit the Global Arrays website at http://hpc.pnl.gov/globalarrays/ | ||
| - | + | ==Where do I go for help with NWChem problems?== | |
Please post your NWChem issue to the NWChem Community forums at http://www.nwchem-sw.org//index.php/Special:AWCforum | Please post your NWChem issue to the NWChem Community forums at http://www.nwchem-sw.org//index.php/Special:AWCforum | ||
| - | + | ==Where do I find the instructions for installing NWChem?== | |
For updated instructions for compiling NWChem please visit the following URL http://www.nwchem-sw.org/index.php/Compiling_NWChem | For updated instructions for compiling NWChem please visit the following URL http://www.nwchem-sw.org/index.php/Compiling_NWChem | ||
| - | + | =Input Problems= | |
| - | + | ==I get the message: <tt>! warning: processed input with no task</tt>. What is wrong?== | |
Have you used emacs to create your input file? Emacs usually does not put and an end-of-line as a last character of the file, therefore the NWChem input parser ignores the last line of your input (the one containing the task directive). | Have you used emacs to create your input file? Emacs usually does not put and an end-of-line as a last character of the file, therefore the NWChem input parser ignores the last line of your input (the one containing the task directive). | ||
To fix the problem, add one more blank line after the task line and your task directive will be executed. | To fix the problem, add one more blank line after the task line and your task directive will be executed. | ||
Revision as of 16:32, 28 January 2016
NWChem Frequently Asked Questions
Contents |
General information about NWChem
Where is the User's Manual?
Where do I go for help with a Global Arrays problem?
If you have problems with compiling the tools directory, please visit the Global Arrays Google group at http://groups.google.com/group/hpctools or visit the Global Arrays website at http://hpc.pnl.gov/globalarrays/
Where do I go for help with NWChem problems?
Please post your NWChem issue to the NWChem Community forums at http://www.nwchem-sw.org//index.php/Special:AWCforum
Where do I find the instructions for installing NWChem?
For updated instructions for compiling NWChem please visit the following URL http://www.nwchem-sw.org/index.php/Compiling_NWChem
Input Problems
I get the message: ! warning: processed input with no task. What is wrong?
Have you used emacs to create your input file? Emacs usually does not put and an end-of-line as a last character of the file, therefore the NWChem input parser ignores the last line of your input (the one containing the task directive). To fix the problem, add one more blank line after the task line and your task directive will be executed.